 Entering Gaussian System, Link 0=g16
 Input=11_L-cysteine_conformer04_STD_M11_def2SVPD.in
 Output=11_L-cysteine_conformer04_STD_M11_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
            -H     0
            S    3   1.00
                 13.0107010              0.19682158D-01
                  1.9622572              0.13796524
                  0.44453796             0.47831935
            S    1   1.00
                  0.12194962             1.0000000
            P    1   1.00
                  0.8000000              1.0000000
            P    1   1.00
                  0.11704099050          1.0000000
            ****
            -He     0
            S    3   1.00
                 38.354936737            0.23814288905D-01
                  5.7689081479           0.15490906777
                  1.2399407035           0.46998096633
            S    1   1.00
                  0.29757815953          1.0000000
            P    1   1.00
                  1.0000000              1.0000000
            P    1   1.00
                  0.22039119441          1.0000000
            ****
            -Li     0
            S    5   1.00
                266.27785516             0.64920150325D-02
                 40.069783447            0.47747863215D-01
                  9.0559944389           0.20268796111
                  2.4503009051           0.48606574817
                  0.72209571855          0.43626977955
            S    1   1.00
                  0.52810884721D-01      1.0000000
            S    1   1.00
                  0.20960948798D-01      1.0000000
            P    2   1.00
                  1.4500000              0.2586000
                  0.3000000              1.0000000
            P    1   1.00
                  0.0820000              1.0000000
            P    1   1.00
                  0.26347662457D-01      1.0000000
            ****
            -Be     0
            S    5   1.00
                515.18616125             0.55615307983D-02
                 77.511037595            0.41190068062D-01
                 17.552481693            0.17913378108
                  4.8028940596           0.44736716455
                  1.4516214316           0.42009581920
            S    1   1.00
                  0.13281633620          1.0000000
            S    1   1.00
                  0.45837372213D-01      1.0000000
            P    3   1.00
                  3.6316917145          -0.29033998305D-01
                  0.71695694366         -0.16877854032
                  0.19541932860         -0.51403419628
            P    1   1.00
                  0.60515465890D-01      1.0000000
            P    1   1.00
                  0.30181880660D-01      1.0000000
            ****
            -B     0
            S    5   1.00
                839.31830086            -0.55929201074D-02
                126.26464843            -0.41565520771D-01
                 28.620600763           -0.18299816983
                  7.8793722710          -0.46540391866
                  2.4088857172          -0.44173884791
            S    1   1.00
                  0.25105109036          1.0000000
            S    1   1.00
                  0.83648866069D-01      1.0000000
            S    1   1.00
                  0.42351565332D-01      1.0000000
            P    3   1.00
                  6.0332223619          -0.35603672456D-01
                  1.2499157866          -0.19895775769
                  0.33871676350         -0.50850202618
            P    1   1.00
                  0.96415632351D-01      1.0000000
            D    1   1.00
                  0.5000000              1.0000000
            D    1   1.00
                  0.74392443101D-01      1.0000000
            ****
            -C     0
            S    5   1.00
               1238.4016938              0.54568832082D-02
                186.29004992             0.40638409211D-01
                 42.251176346            0.18025593888
                 11.676557932            0.46315121755
                  3.5930506482           0.44087173314
            S    1   1.00
                  0.40245147363          1.0000000
            S    1   1.00
                  0.13090182668          1.0000000
            S    1   1.00
                  0.67053540256D-01      1.0000000
            P    3   1.00
                  9.4680970621           0.38387871728D-01
                  2.0103545142           0.21117025112
                  0.54771004707          0.51328172114
            P    1   1.00
                  0.15268613795          1.0000000
            D    1   1.00
                  0.8000000              1.0000000
            D    1   1.00
                  0.11713185140          1.0000000
            ****
            -N     0
            S    5   1.00
               1712.8415853             -0.53934125305D-02
                257.64812677            -0.40221581118D-01
                 58.458245853           -0.17931144990
                 16.198367905           -0.46376317823
                  5.0052600809          -0.44171422662
            S    1   1.00
                  0.58731856571          1.0000000
            S    1   1.00
                  0.18764592253          1.0000000
            S    1   1.00
                  0.96171241529D-01      1.0000000
            P    3   1.00
                 13.571470233           -0.40072398852D-01
                  2.9257372874          -0.21807045028
                  0.79927750754         -0.51294466049
            P    1   1.00
                  0.21954348034          1.0000000
            D    1   1.00
                  1.0000000              1.0000000
            D    1   1.00
                  0.16697708112          1.0000000
            ****
            -O     0
            S    5   1.00
               2266.1767785             -0.53431809926D-02
                340.87010191            -0.39890039230D-01
                 77.363135167           -0.17853911985
                 21.479644940           -0.46427684959
                  6.6589433124          -0.44309745172
            S    1   1.00
                  0.80975975668          1.0000000
            S    1   1.00
                  0.25530772234          1.0000000
            S    1   1.00
                  0.76572453250D-01      1.0000000
            P    3   1.00
                 17.721504317            0.43394573193D-01
                  3.8635505440           0.23094120765
                  1.0480920883           0.51375311064
            P    1   1.00
                  0.27641544411          1.0000000
            P    1   1.00
                  0.69002276350D-01      1.0000000
            D    1   1.00
                  1.2000000              1.0000000
            D    1   1.00
                  0.17992024323          1.0000000
            ****
            -F     0
            S    5   1.00
               2894.8325990             -0.53408255515D-02
                435.41939120            -0.39904258866D-01
                 98.843328866           -0.17912768038
                 27.485198001           -0.46758090825
                  8.5405498171          -0.44653131020
            S    1   1.00
                  1.0654578038           1.0000000
            S    1   1.00
                  0.33247346748          1.0000000
            S    1   1.00
                  0.98097752264D-01      1.0000000
            P    3   1.00
                 22.696633924           -0.45212874436D-01
                  4.9872339257          -0.23754317067
                  1.3491613954          -0.51287353587
            P    1   1.00
                  0.34829881977          1.0000000
            P    1   1.00
                  0.83372148304D-01      1.0000000
            D    1   1.00
                  1.4000000              1.0000000
            D    1   1.00
                  0.22301361948          1.0000000
            ****
            -Ne     0
            S    5   1.00
               3598.9736625             -0.53259297003D-02
                541.32073112            -0.39817417969D-01
                122.90450062            -0.17914358188
                 34.216617022           -0.46893582977
                 10.650584124           -0.44782537577
            S    1   1.00
                  1.3545953960           1.0000000
            S    1   1.00
                  0.41919362639          1.0000000
            S    1   1.00
                  0.12055043545          1.0000000
            P    3   1.00
                 28.424053785           -0.46031944795D-01
                  6.2822510953          -0.23993183041
                  1.6978715079          -0.50871724964
            P    1   1.00
                  0.43300700172          1.0000000
            P    1   1.00
                  0.10141942051          1.0000000
            D    1   1.00
                  1.8880000              1.0000000
            D    1   1.00
                  0.28026803041          1.0000000
            ****
            -Na     0
            S    5   1.00
               4098.2003908             -0.58535911879D-02
                616.49374031            -0.43647161872D-01
                139.96644001            -0.19431465884
                 39.073441051           -0.48685065731
                 11.929847205           -0.41881705137
            S    3   1.00
                 20.659966030            0.85949689854D-01
                  1.9838860978          -0.56359144041
                  0.64836323942         -0.51954009048
            S    1   1.00
                  0.52443967404D-01      1.0000000
            S    1   1.00
                  0.28048160742D-01      1.0000000
            P    5   1.00
                 75.401862017            0.154353625324D-01
                 17.274818978            0.997382931840D-01
                  5.1842347425           0.312095939659
                  1.6601211973           0.492956748074
                  0.51232528958          0.324203983180
            P    1   1.00
                  0.0520000              1.0000000
            P    1   1.00
                  0.19853008514D-01      1.0000000
            D    1   1.00
                  0.1310000              1.0000000
            ****
            -Mg     0
            S    5   1.00
               4953.8339196             -0.57778967498D-02
                745.18044154            -0.43124761082D-01
                169.21604972            -0.19268216987
                 47.300672019           -0.48641439116
                 14.461336973           -0.42550894077
            S    3   1.00
                 24.768174789            0.87956969984D-01
                  2.4940945349          -0.55165058128
                  0.87807584533         -0.53443294833
            S    1   1.00
                  0.87212782497D-01      1.0000000
            S    1   1.00
                  0.33599293780D-01      1.0000000
            P    5   1.00
                 98.053010494           -0.14480564601D-01
                 22.586932277           -0.95495750787D-01
                  6.8391509842          -0.30787672651
                  2.2332843818          -0.49936292886
                  0.71606599387         -0.31503476213
            P    1   1.00
                  0.18914796195          1.0000000
            P    1   1.00
                  0.53768755187D-01      1.0000000
            P    1   1.00
                  0.23963578287D-01      1.0000000
            D    1   1.00
                  0.1010000              1.0000000
            ****
            -Al     0
            S    5   1.00
               5887.5727030              0.13483347987D-02
                885.61225996             0.10071576809D-01
                201.13604899             0.45132454056D-01
                 56.284974674            0.11461268043
                 17.229551243            0.10159608943
            S    3   1.00
                 29.340249922            0.69347454208D-01
                  3.0439630420          -0.42528117679
                  1.1285539518          -0.41449832210
            S    1   1.00
                  0.14234175160          1.0000000
            S    1   1.00
                  0.54400192313D-01      1.0000000
            S    1   1.00
                  0.32535359511D-01      1.0000000
            P    5   1.00
                145.11918809             0.63963373134D-02
                 33.717894833            0.44189359965D-01
                 10.369863083            0.15581575993
                  3.5135616036           0.28635286951
                  1.1980050273           0.22921423248
            P    1   1.00
                  0.26583005913          1.0000000
            P    1   1.00
                  0.71003361994D-01      1.0000000
            D    1   1.00
                  0.3000000              1.0000000
            D    1   1.00
                  0.53071685831D-01      1.0000000
            ****
            -Si     0
            S    5   1.00
               6903.7118686              0.13373962995D-02
               1038.4346419              0.99966546241D-02
                235.87581480             0.44910165101D-01
                 66.069385169            0.11463638540
                 20.247945761            0.10280063858
            S    3   1.00
                 34.353481730            0.70837285010D-01
                  3.6370788192          -0.43028836252
                  1.4002048599          -0.41382774969
            S    1   1.00
                  0.20484414805          1.0000000
            S    1   1.00
                  0.77994095468D-01      1.0000000
            S    1   1.00
                  0.46834778282D-01      1.0000000
            P    5   1.00
                179.83907373             0.61916656462D-02
                 41.907258846            0.43399431982D-01
                 12.955294367            0.15632019351
                  4.4383267393           0.29419996982
                  1.5462247904           0.23536823814
            P    1   1.00
                  0.35607612302          1.0000000
            P    1   1.00
                  0.10008513762          1.0000000
            D    1   1.00
                  0.3500000              1.0000000
            D    1   1.00
                  0.74117707708D-01      1.0000000
            ****
            -P     0
            S    5   1.00
               8002.4795106              0.57503489302D-02
               1203.6813590              0.43007628959D-01
                273.44227031             0.19363986252
                 76.655541517            0.49651693399
                 23.516927435            0.44983262479
            S    3   1.00
                 39.791683439            0.95188129789D-01
                  4.2770343323          -0.57649840368
                  1.6940256888          -0.54239583865
            S    1   1.00
                  0.27567674644          1.0000000
            S    1   1.00
                  0.10495590099          1.0000000
            S    1   1.00
                  0.64309734755D-01      1.0000000
            P    5   1.00
                219.50755823             0.92100565257D-02
                 51.274155030            0.65409765745D-01
                 15.921595892            0.24033730279
                  5.5069913481           0.46318321788
                  1.9537719426           0.37392563382
            P    1   1.00
                  0.47803397932          1.0000000
            P    1   1.00
                  0.13657952621          1.0000000
            D    1   1.00
                  0.4500000              1.0000000
            D    1   1.00
                  0.99587311089D-01      1.0000000
            ****
            -S     0
            S    5   1.00
               9184.9303010             -0.22294387756D-02
               1381.5105503             -0.16683029937D-01
                313.87147580            -0.75262436116D-01
                 88.053870623           -0.19376827038
                 27.039914905           -0.17718020803
            S    3   1.00
                 45.648731303           -0.10736062573
                  4.9664522326           0.65066293018
                  2.0116242047           0.59712155354
            S    1   1.00
                  0.35661077013          1.0000000
            S    1   1.00
                  0.13507221477          1.0000000
            S    1   1.00
                  0.44999823506D-01      1.0000000
            P    5   1.00
                261.98233439            -0.92729929822D-02
                 61.306894736           -0.66547669241D-01
                 19.103729887           -0.24828595903
                  6.6567720378          -0.48703847402
                  2.3959635161          -0.39337850312
            P    1   1.00
                  0.61776161679          1.0000000
            P    1   1.00
                  0.16993376871          1.0000000
            P    1   1.00
                  0.41706793676D-01      1.0000000
            D    1   1.00
                  0.5500000              1.0000000
            D    1   1.00
                  0.10172853717          1.0000000
            ****
            -Cl     0
            S    5   1.00
              10449.8275660              0.19708362484D-02
               1571.7365221              0.14754727977D-01
                357.12065523             0.66679112875D-01
                100.25185935             0.17228924084
                 30.812727554            0.15883786100
            S    3   1.00
                 51.923789434           -0.10009298909
                  5.7045760975           0.60841752753
                  2.3508376809           0.54352153355
            S    1   1.00
                  0.44605124672          1.0000000
            S    1   1.00
                  0.16848856190          1.0000000
            S    1   1.00
                  0.55344229413D-01      1.0000000
            P    5   1.00
                307.66790569            -0.87801484118D-02
                 72.102015515           -0.63563355471D-01
                 22.532680262           -0.24016428276
                  7.8991765444          -0.47798866557
                  2.8767268321          -0.38515850005
            P    1   1.00
                  0.77459363955          1.0000000
            P    1   1.00
                  0.21037699698          1.0000000
            P    1   1.00
                  0.50046271086D-01      1.0000000
            D    1   1.00
                  0.6500000              1.0000000
            D    1   1.00
                  0.12284803390          1.0000000
            ****
            -Ar     0
            S    5   1.00
              11797.1197650              0.20214479973D-02
               1774.3522753              0.15139852688D-01
                403.18875733             0.68525400873D-01
                113.24933999             0.17762929207
                 34.835298193            0.16496495001
            S    3   1.00
                 58.614775042           -0.10343394000
                  6.4922045078           0.63133365899
                  2.7117014403           0.54887572301
            S    1   1.00
                  0.54412974538          1.0000000
            S    1   1.00
                  0.20517411136          1.0000000
            S    1   1.00
                  0.66442487045D-01      1.0000000
            P    5   1.00
                356.28707256            -0.87321783271D-02
                 83.593132866           -0.63680317444D-01
                 26.186704029           -0.24311906886
                  9.2257275925          -0.48956069653
                  3.3922754954          -0.39229190040
            P    1   1.00
                  0.94740534010          1.0000000
            P    1   1.00
                  0.25659135062          1.0000000
            P    1   1.00
                  0.59491455142D-01      1.0000000
            D    1   1.00
                  0.6960000              1.0000000
            D    1   1.00
                  0.14309493859          1.0000000
            ****
            -K     0
            S    6   1.00
              31478.7467640              0.39838653994D-02
               4726.8876066              0.30501759762D-01
               1075.4345353              0.15073752622
                303.39811023             0.51912939801
                 98.327112831            1.0366957005
                 33.636222177            0.76398963199
            S    3   1.00
                 65.639209962           -0.28242617106
                  7.3162592218           1.6914935860
                  2.8902580135           1.2965331953
            S    3   1.00
                  4.5459748965          -0.76343555273D-02
                  0.70404124062          0.25635718960D-01
                  0.28266888959          0.16606859208D-01
            S    1   1.00
                  0.29058164020D-01      1.0000000
            S    1   1.00
                  0.12111638157D-01      1.0000000
            P    5   1.00
                361.22492154             0.20906479823D-01
                 84.670222166            0.15043641740
                 26.469088236            0.55440061077
                  9.2658077615           1.0409009991
                  3.3423388293           0.67825341194
            P    3   1.00
                  1.5100876104           0.75248191146
                  0.56568375163          1.3708585031
                  0.20817008495          0.66047633079
            P    1   1.00
                  0.0417370              1.0000000
            P    1   1.00
                  0.16603217986D-01      1.0000000
            D    1   1.00
                  0.3530000              1.0000000
            D    1   1.00
                  0.0980000              1.0000000
            ****
            -Ca     0
            S    6   1.00
              35138.7139290              0.39482520740D-02
               5276.4111348              0.30234243552D-01
               1200.4692589              0.14952019681
                338.71810542             0.51597345713
                109.85385922             1.0339510296
                 37.608880299            0.76937933526
            S    3   1.00
                 73.107977555           -0.28268525011
                  8.2407705688           1.6796092142
                  3.2959812993           1.2803766016
            S    3   1.00
                  5.2341800914          -0.76868604561D-02
                  0.84187220515          0.25382375978D-01
                  0.36510294029          0.16512171511D-01
            S    1   1.00
                  0.51222402884D-01      1.0000000
            S    1   1.00
                  0.19825111408D-01      1.0000000
            P    5   1.00
                413.11313893             0.20327135354D-01
                 96.935786224            0.14730276362
                 30.372154659            0.54887167322
                 10.684776830            1.0440659818
                  3.8821258350           0.68653490684
            P    3   1.00
                  1.7993016295           0.75410246871
                  0.69189056530          1.3409296599
                  0.26364024096          0.56391989435
            P    1   1.00
                  0.0749790              1.0000000
            P    1   1.00
                  0.23809355789D-01      1.0000000
            D    3   1.00
                  5.4979093879           0.73770011433D-01
                  1.3177128032           0.26052853169
                  0.32188682649          0.45233836380
            D    1   1.00
                  0.70528614919D-01      1.0000000
            ****
            -Sc     0
            S    6   1.00
              38956.0818040              0.39293205858D-02
               5849.5733637              0.30093221229D-01
               1330.8813154              0.14890370950
                375.55534165             0.51464282906
                121.87261370             1.0337708070
                 41.760243729            0.77436851627
            S    3   1.00
                 81.060633953           -0.28318552316
                  9.2059823972           1.6770806984
                  3.7063215732           1.2594733678
            S    3   1.00
                  5.9888909988          -0.77821367493D-02
                  0.97363432378          0.25499692745D-01
                  0.42041019223          0.16191560820D-01
            S    1   1.00
                  0.59440551913D-01      1.0000000
            S    1   1.00
                  0.22897806303D-01      1.0000000
            P    5   1.00
                466.31481262             0.19984300385D-01
                109.51217097             0.14561043072
                 34.375921827            0.54687466223
                 12.142096955            1.0479006012
                  4.4336767669           0.68894890327
            P    3   1.00
                  2.0971291866           0.75619214724
                  0.80977606956          1.3178212235
                  0.30834046588          0.54312268173
            P    1   1.00
                  0.0897480              1.0000000
            P    1   1.00
                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
                 26.726257934            0.64752124207
                 11.124501923            0.44241976651
            S    3   1.00
                 19.888520061           -0.22857227762
                  3.3668473803           0.73591359951
                  1.5249277839           0.44330199577
            S    1   1.00
                  0.29630037912          1.0000000
            S    1   1.00
                  0.11009288974          1.0000000
            S    1   1.00
                  0.42167294728D-01      1.0000000
            P    5   1.00
               1455.9068120              0.88203597043D-02
                343.75101831             0.66875851967D-01
                109.29554964             0.26640578080
                 39.707711022            0.53834928422
                 14.950185232            0.36303281993
            P    3   1.00
                  8.0208962094           0.34153807025
                  3.2934649756           0.57257906583
                  1.4058602438           0.25549813222
            P    1   1.00
                  0.45076123226          1.0000000
            P    1   1.00
                  0.13353413325          1.0000000
            P    1   1.00
                  0.34396697938D-01      1.0000000
            D    4   1.00
                 94.494024044            0.23490101098D-01
                 27.188185260            0.13747735767D+00
                  9.5091567352           0.36649929124D+00
                  3.4170516853           0.48750989884D+00
            D    1   1.00
                  1.1479590083            .27657943383D+00
            D    1   1.00
                  0.3380000              1.0000000
            D    1   1.00
                  0.82767380906D-01      1.0000000
            ****
            -Br     0
            S    6   1.00
             113286.3877600              0.14283037779D-02
              17009.6263030              0.10950417496D-01
               3870.1842567              0.54421006604D-01
               1093.0357227              0.19047907695
                356.39721797             0.39024642737
                123.12539643             0.30814432514
            S    3   1.00
                236.74084007            -0.11228065671
                 28.468661070            0.64775962312
                 11.883443722            0.44235575986
            S    3   1.00
                 21.269633312           -0.22642576323
                  3.6129226841           0.73823712008
                  1.6626648969           0.42683868694
            S    1   1.00
                  0.34823793232          1.0000000
            S    1   1.00
                  0.13019031394          1.0000000
            S    1   1.00
                  0.50966709763D-01      1.0000000
            P    5   1.00
               1560.2801881              0.87166669072D-02
                368.47859205             0.66243637420D-01
                117.22978849             0.26495610385
                 42.648909248            0.53839160587
                 16.087225096            0.36579387888
            P    3   1.00
                  8.6352810058           0.34248787366
                  3.5613665502           0.57500678213
                  1.5292626609           0.24330394172
            P    1   1.00
                  0.53064294848          1.0000000
            P    1   1.00
                  0.15702758965          1.0000000
            P    1   1.00
                  0.39636841846D-01      1.0000000
            D    4   1.00
                104.85518642             0.22650147581D-01
                 30.281143688            0.13455483230
                 10.651394267            0.36474454537
                  3.8699456233           0.49044587056
            D    1   1.00
                  1.3240876762            .27137289040
            D    1   1.00
                  0.3890000              1.0000000
            D    1   1.00
                  0.96543342393D-01      1.0000000
            ****
            -Kr     0
            S    6   1.00
             120165.6487500              0.14294234496D-02
              18042.5001690              0.10959597020D-01
               4105.1800388              0.54479647470D-01
               1159.4447248              0.19081239122
                378.13810346             0.39140445949
                130.67610045             0.31007346689
            S    3   1.00
                250.96373353            -0.11258604011
                 30.265930380            0.64816322524
                 12.668110757            0.44240238994
            S    3   1.00
                 22.697940101           -0.22391964908
                  3.8673017398           0.74060953026
                  1.8013706671           0.40803658445
            S    1   1.00
                  0.40308639136          1.0000000
            S    1   1.00
                  0.15170527749          1.0000000
            S    1   1.00
                  0.60450731670D-01      1.0000000
            P    5   1.00
               1668.5736623              0.86215009803D-02
                394.13862798             0.65665506884D-01
                125.46644854             0.26366576697
                 45.704992729            0.53867658574
                 17.270133229            0.36865167502
            P    3   1.00
                  9.2699487770           0.34346189015
                  3.8364617719           0.57784776196
                  1.6467163312           0.23075615197
            P    1   1.00
                  0.61479686489          1.0000000
            P    1   1.00
                  0.18319467414          1.0000000
            P    1   1.00
                  0.45792563991D-01      1.0000000
            D    4   1.00
                115.55868603             0.21945485333D-01
                 33.477985864            0.13211212879
                 11.834450207            0.36333306964
                  4.3408254894           0.49300484446
            D    1   1.00
                  1.5079273157            .26676858913
            D    1   1.00
                  0.4430000              1.0000000
            D    1   1.00
                  0.11235044486          1.0000000
            ****
            -Rb     0
            S    3   1.00
                  4.6687885071           0.29008526793
                  2.9442428420          -0.67740090428
                  0.58171262989          0.45712389487
            S    1   1.00
                  0.45147933555          1.0000000
            S    1   1.00
                  0.21604923532          1.0000000
            S    1   1.00
                  0.32088816526D-01      1.0000000
            S    1   1.00
                  0.13833878175D-01      1.0000000
            P    4   1.00
                  5.5234179480           0.51234729472D-01
                  3.4120149646          -0.17337025646
                  0.76899021792          0.43339683188
                  0.33088071786          0.55354332721
            P    1   1.00
                  0.13423268441          1.0000000
            P    1   1.00
                  0.20642679613D-01      1.0000000
            P    1   1.00
                  0.43243763156D-02      1.0000000
            D    1   1.00
                  0.2260000              1.0000000
            D    1   1.00
                  0.27432280711D-01      1.0000000
            ****
            -Sr     0
            S    3   1.00
                  5.9276428767           0.19698765364
                  3.0691274814          -0.64852205985
                  0.70675488028          0.62064729022
            S    1   1.00
                  0.33824024280          1.0000000
            S    1   1.00
                  0.61768869200D-01      1.0000000
            S    1   1.00
                  0.25767593093D-01      1.0000000
            P    4   1.00
                  2.4324720000          -0.37145059848
                  1.6642340000           0.37856824234
                  0.59455471858          0.59874487803
                  0.26152621998          0.35314019512
            P    1   1.00
                  0.10258814042          1.0000000
            P    1   1.00
                  0.33223404030D-01      1.0000000
            P    1   1.00
                  0.16570352270D-01      1.0000000
            D    4   1.00
                  3.6180810000          -0.75010000000D-02
                  0.99665600000          0.10809800000
                  0.39073500000          0.27854000000
                  0.12277000000          0.47731800000
            D    1   1.00
                  0.36655000000D-01       .44818300000
            ****
            -Y     0
            S    3   1.00
                  5.1329580000          -1.3864845457
                  4.2401920000           1.9459581166
                  1.2982800000           0.44182603154
            S    1   1.00
                  0.82904954347          1.0000000
            S    1   1.00
                  0.34752758911          1.0000000
            S    1   1.00
                  0.68418878574D-01      1.0000000
            S    1   1.00
                  0.27323992904D-01      1.0000000
            P    4   1.00
                  2.7279200000          -0.37249884911871
                  1.9790500000           0.32572065995957
                  0.79980886805          0.50094655502482
                  0.38409397354          0.44385929492812
            P    1   1.00
                  0.16173582264          1.0000000
            P    1   1.00
                  0.69700000000D-01      1.0000000
            P    1   1.00
                  0.0300000              1.0000000
            D    4   1.00
                  3.9030833060          -0.0098209792625124
                  1.1363234302           0.19183629664092
                  0.45617043877          0.40597788538820
                  0.17470950748          0.43861485518224
            D    1   1.00
                  0.61978796638D-01      1.0000000
            F    1   1.00
                  0.2651500              1.0000000
            ****
            -Zr     0
            S    3   1.00
                  5.8737890000           0.54255558714
                  4.2872700000          -0.95241333244
                  1.4641370000          -0.13703926411
            S    1   1.00
                  0.83727682345           .88521584390
            S    1   1.00
                  0.36849806511          1.0000000
            S    1   1.00
                  0.77806859124D-01      1.0000000
            S    1   1.00
                  0.30273088330D-01      1.0000000
            P    4   1.00
                  2.8742240000          -0.46624086918
                  2.1199010000           0.45883133891
                  0.78845821105          0.58853912475
                  0.36332579847          0.35822232244
            P    1   1.00
                  0.14951762021          1.0000000
            P    1   1.00
                  0.67000000000D-01      1.0000000
            P    1   1.00
                  0.30000000000D-01      1.0000000
            D    4   1.00
                  4.2898623878          -0.12212868080D-01
                  1.3615557498           0.19692423520
                  0.56937550689          0.42057831659
                  0.22674948677          0.42757027999
            D    1   1.00
                  0.83011031631D-01      1.0000000
            F    1   1.00
                  0.3926100              1.0000000
            ****
            -Nb     0
            S    3   1.00
                  6.5663010000          -0.94917907866
                  4.5864380000           1.5736372883
                  3.7537700000           0.36380422981
            S    1   1.00
                  0.84187717437          1.0000000
            S    1   1.00
                  0.38160666177          1.0000000
            S    1   1.00
                  0.85819911368D-01      1.0000000
            S    1   1.00
                  0.32702330370D-01      1.0000000
            P    4   1.00
                  3.0700630000          -0.51025115881
                  2.2379640000           0.53570598017
                  0.80801969671          0.63102216351
                  0.35783343432          0.30205908942
            P    1   1.00
                  0.13820085283          1.0000000
            P    1   1.00
                  0.70500000000D-01      1.0000000
            P    1   1.00
                  0.0360000              1.0000000
            D    4   1.00
                  4.6170975867          -0.13574476955D-01
                  1.5663438480           0.20374310496
                  0.66952425826          0.42997453105
                  0.27140946867          0.4179975484761
            D    1   1.00
                  0.10054426592          1.0000000
            F    1   1.00
                  0.5227000              1.0000000
            ****
            -Mo     0
            S    3   1.00
                  7.2033800000          -0.89310617237
                  5.0522950000           1.6074095756
                  2.9135330000           0.27804186088
            S    1   1.00
                  0.97858218681          1.0000000
            S    1   1.00
                  0.44369153753          1.0000000
            S    1   1.00
                  0.92150090705D-01      1.0000000
            S    1   1.00
                  0.34802246935D-01      1.0000000
            P    4   1.00
                  3.1518660000          -0.71873040872
                  2.4534820000           0.76442887870
                  0.85030192180          0.64808585640
                  0.36918237179          0.26792115234
            P    1   1.00
                  0.13490627460          1.0000000
            P    1   1.00
                  0.71800000000D-01      1.0000000
            P    1   1.00
                  0.38200000000D-01      1.0000000
            D    4   1.00
                  5.0044445497          -0.21587364862D-01
                  1.7736823324           0.20958680086
                  0.76950591696          0.43730880599
                  0.31530878939          0.41123927009
            D    1   1.00
                  0.11754374390          1.0000000
            F    1   1.00
                  0.6554500              1.0000000
            ****
            -Tc     0
            S    3   1.00
                  7.4344020000          -1.1436289973
                  5.5513270000           1.8752000559
                  3.0230860000           0.23952854431
            S    1   1.00
                  1.0647443990           1.0000000
            S    1   1.00
                  0.48127808497          1.0000000
            S    1   1.00
                  0.98299016952D-01      1.0000000
            S    1   1.00
                  0.36659977936D-01      1.0000000
            P    4   1.00
                  3.4490050000          -0.72277510434
                  2.6927370000           0.76458962802
                  0.94427370692          0.64533225171
                  0.41348148619          0.27195668811
            P    1   1.00
                  0.15488152305          1.0000000
            P    1   1.00
                  0.79000000000D-01      1.0000000
            P    1   1.00
                  0.40300000000D-01      1.0000000
            D    4   1.00
                  5.0906268699          -0.32176405405D-01
                  2.0156178510           0.21280802536
                  0.88113887240          0.44403309175
                  0.36427094833          0.40796933085
            D    1   1.00
                  0.13678402297          1.0000000
            F    1   1.00
                  0.7908500              1.0000000
            ****
            -Ru     0
            S    3   1.00
                  7.9365700000          -1.1772083350
                  5.9842450000           1.6197059592
                  4.8822200000           0.51065807556
            S    1   1.00
                  1.1031002163           1.0000000
            S    1   1.00
                  0.49818875261          1.0000000
            S    1   1.00
                  0.10678711393          1.0000000
            S    1   1.00
                  0.39191775872D-01      1.0000000
            P    4   1.00
                  3.7546090000          -0.70777873563
                  2.9165710000           0.74954391484
                  1.0322209568           0.64660609645
                  0.45249553774          0.27029086816
            P    1   1.00
                  0.16987042198          1.0000000
            P    1   1.00
                  0.85500000000D-01      1.0000000
            P    1   1.00
                  0.43000000000D-01      1.0000000
            D    4   1.00
                  5.7341846619          -0.35266111560D-01
                  2.2483686294           0.21802502222
                  0.98376978359          0.44709565013
                  0.40379445583          0.40371732508
            D    1   1.00
                  0.14978618173          1.0000000
            F    1   1.00
                  0.9431400              1.0000000
            ****
            -Rh     0
            S    3   1.00
                  7.9177440000           0.14014042010165D+01
                  6.8412070000          -0.17975072656312D+01
                  2.9598400000          -0.16225754496571
            S    1   1.00
                  1.3166643441            .87495110714057
            S    1   1.00
                  0.56907152172          1.0000000
            S    1   1.00
                  0.10059695193          1.0000000
            S    1   1.00
                  0.37071460798D-01      1.0000000
            P    4   1.00
                  4.1360790000          -0.55183328017626
                  2.9462810000           0.61370533515352
                  1.0792431924           0.64005434538256
                  0.46611217769          0.25958050755066
            P    1   1.00
                  0.17453169991          1.0000000
            P    1   1.00
                  0.84600000000D-01      1.0000000
            P    1   1.00
                  0.0410000              1.0000000
            D    4   1.00
                  6.8847131641          -0.15962387984517D-01
                  2.3837304391           0.23047555828858
                  1.0184384022           0.44075804027937
                  0.39957494644          0.39567661995894
            D    1   1.00
                  0.13951120264          1.0000000
            F    1   1.00
                  1.0949900              1.0000000
            ****
            -Pd     0
            S    3   1.00
                  8.4756400000           1.2392391076
                  7.1657170000          -1.6563109970
                  3.1821100000          -0.13178619060
            S    1   1.00
                  1.3973644196           1.0000000
            S    1   1.00
                  0.60532955868          1.0000000
            S    1   1.00
                  0.10229514209          1.0000000
            S    1   1.00
                  0.37338972881D-01      1.0000000
            P    4   1.00
                  4.2460970000          -0.82324104973
                  3.3925940000           0.87084659933
                  1.1975891264           0.63512225791
                  0.52673750585          0.27225338752
            P    1   1.00
                  0.20607094098          1.0000000
            P    1   1.00
                  0.87300000000D-01      1.0000000
            P    1   1.00
                  0.37000000000D-01      1.0000000
            D    4   1.00
                  7.3613290985          -0.17199885828D-01
                  2.6291037258           0.23313745275
                  1.1292744634           0.44536385867
                  0.44471659896          0.39293650406
            D    1   1.00
                  0.15544893836          1.0000000
            F    1   1.00
                  1.2462900              1.0000000
            ****
            -Ag     0
            S    3   1.00
                  9.0884420000          -1.9808918797
                  7.5407310000           2.7554513347
                  2.7940050000           0.22715408381
            S    1   1.00
                  1.4918135849           1.0000000
            S    1   1.00
                  0.63579159445          1.0000000
            S    1   1.00
                  0.10368414161          1.0000000
            S    1   1.00
                  0.37460004363D-01      1.0000000
            P    4   1.00
                  4.4512400000          -0.99352103771
                  3.6752630000           1.0500525237
                  1.2610620905           0.64747532537
                  0.54212477498          0.25621550723
            P    1   1.00
                  0.20221617026          1.0000000
            P    1   1.00
                  0.91300000000D-01      1.0000000
            P    1   1.00
                  0.0412000              1.0000000
            D    4   1.00
                  7.7956672292          -0.17042912377D-01
                  2.8926510238           0.23446154803
                  1.2474273203           0.44765877533
                  0.49313817671          0.39064954560
            D    1   1.00
                  0.17285032603          1.0000000
            F    1   1.00
                  1.3971100              1.0000000
            ****
            -Cd     0
            S    3   1.00
                  9.7270110000          -1.7930075316
                  7.8375230000           2.6110318971
                  5.0891940000           0.10748428949
            S    1   1.00
                  1.4981738327           1.0000000
            S    1   1.00
                  0.67281383129          1.0000000
            S    1   1.00
                  0.13297424875          1.0000000
            S    1   1.00
                  0.46915090488D-01      1.0000000
            P    4   1.00
                  4.7427160000          -1.0411923051
                  3.9366550000           1.1003682332
                  1.3569243142           0.65366639411
                  0.58791569541          0.24632369113
            P    1   1.00
                  0.21371239619          1.0000000
            P    1   1.00
                  0.10500000000          1.0000000
            P    1   1.00
                  0.0516000              1.0000000
            D    4   1.00
                  7.8631040859          -0.21376239365D-01
                  3.2935059133           0.22596399568
                  1.4503676025           0.45294402972
                  0.59373316766          0.39218971958231D+00
            D    1   1.00
                  0.21760141520          1.0000000
            F    1   1.00
                  1.5981300              1.0000000
            ****
            -In     0
            S    6   1.00
                283.52297445             0.70132141424D-03
                 23.324282101           -0.90887432418D-01
                 16.868026844            0.28096825177
                  6.7866498137          -0.70697832452
                  1.6782596016           0.98671644913
                  0.78396870439          0.62568576302
            S    2   1.00
                  1.8276654775          -0.34151640249
                  0.83753492534         -0.59696724334
            S    1   1.00
                  0.16643068973          1.0000000
            S    1   1.00
                  0.61143742809D-01      1.0000000
            S    1   1.00
                  0.25528481617D-01      1.0000000
            P    4   1.00
                 14.699191826            0.92248042349D-01
                  8.8709038051          -0.32437029300
                  1.1342905889           0.61162217018
                  0.52667652433          0.17609640386
            P    1   1.00
                  2.3284433667           1.0000000
            P    1   1.00
                  0.16859144934          1.0000000
            P    1   1.00
                  0.50070381081D-01      1.0000000
            D    5   1.00
                 31.378655926            0.54007004722D-02
                 18.290046326           -0.11208558948D-01
                  3.2551894590           0.30384519161
                  1.3874842584           0.54078109979
                  0.54248962672          0.38232680038
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.41325112998D-01      1.0000000
            ****
            -Sn     0
            S    6   1.00
                375.95156177             0.15224884228D-02
                 23.661818008           -0.16776065030
                 19.946281315            0.33989090393
                  6.8240270454          -0.84441791529
                  1.8771488722           0.92646952846
                  0.82033199226          0.53091094490
            S    2   1.00
                 10.341549887           -0.90331119154D-02
                  1.3672524155           0.22980877714
            S    1   1.00
                  0.18314843823          1.0000000
            S    1   1.00
                  0.69547226146D-01      1.0000000
            S    1   1.00
                  0.34867474697D-01      1.0000000
            P    4   1.00
                 21.293597748            0.37103218279D-01
                  8.8171842499          -0.32351709661
                  1.2347028371           0.83846760898
                  0.57869142617          0.23294977050
            P    1   1.00
                  2.5084050284           1.0000000
            P    1   1.00
                  0.21298577719          1.0000000
            P    1   1.00
                  0.67364584657D-01      1.0000000
            D    5   1.00
                 39.693023177            0.39185734275D-02
                 20.852179275           -0.68210073667D-02
                  3.6907832774           0.27938420495
                  1.5849404530           0.52607409874
                  0.62772693365          0.36149465348
            D    1   1.00
                  0.20500000000          1.0000000
            D    1   1.00
                  0.54356625231D-01      1.0000000
            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
                  1.9052000235           0.92017581656
                  0.93007107773          0.46754079597
            S    2   1.00
                 10.584496987           -0.14845336778D-01
                  1.4680242769           0.35289492025
            S    1   1.00
                  0.21621190032          1.0000000
            S    1   1.00
                  0.83546307041D-01      1.0000000
            S    1   1.00
                  0.43729879440D-01      1.0000000
            P    4   1.00
                 15.926550950            0.13206950012
                 10.052739237           -0.41511149340
                  1.2682183726           0.74197972626
                  0.57196620929          0.15580772750
            P    1   1.00
                  2.6190751238           1.0000000
            P    1   1.00
                  0.25183282652          1.0000000
            P    1   1.00
                  0.83389127684D-01      1.0000000
            D    5   1.00
                 45.485063360            0.32556415807D-02
                 18.504059617           -0.54952972010D-02
                  3.9156032308           0.27988806353
                  1.7142196009           0.51273377761
                  0.69675478242          0.33288802736
            D    1   1.00
                  0.23060000000          1.0000000
            D    1   1.00
                  0.66830850850D-01      1.0000000
            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
                  2.0705998798           0.79192928400
                  0.97715185085          0.40558342540
            S    2   1.00
                 11.263563841           -0.15212984183D-01
                  1.6122696062           0.35202140517
            S    1   1.00
                  0.25095401705          1.0000000
            S    1   1.00
                  0.97478452576D-01      1.0000000
            S    1   1.00
                  0.38352170654D-01      1.0000000
            P    4   1.00
                 17.479502221            0.11517799182
                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
                  0.59239616258          0.15283299018
            P    1   1.00
                  2.7961737670           1.0000000
            P    1   1.00
                  0.29766401026          1.0000000
            P    1   1.00
                  0.96151090240D-01      1.0000000
            P    1   1.00
                  0.26339831052D-01      1.0000000
            D    5   1.00
                 50.821835991            0.33763474774D-02
                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
                  0.77069282849          0.32213541689
            D    1   1.00
                  0.25000000000          1.0000000
            D    1   1.00
                  0.66543837442D-01      1.0000000
            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
                 11.720547572           -0.16160234511D-01
                  1.7625986449           0.35271525193
            S    1   1.00
                  0.28697476318          1.0000000
            S    1   1.00
                  0.11227609607          1.0000000
            S    1   1.00
                  0.45123635492D-01      1.0000000
            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
                  3.0288656771           1.0000000
            P    1   1.00
                  0.34506591841          1.0000000
            P    1   1.00
                  0.11134513813          1.0000000
            P    1   1.00
                  0.29795507230D-01      1.0000000
            D    5   1.00
                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
                  0.87640281623          0.31232025297
            D    1   1.00
                  0.30900000000          1.0000000
            D    1   1.00
                  0.77987255180D-01      1.0000000
            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
                 18.048324490            0.57524870348
            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
                  2.6257211320           1.0000000
            S    1   1.00
                  1.2905042943           1.0000000
            S    1   1.00
                  0.36204185060          1.0000000
            S    1   1.00
                  0.14069888091          1.0000000
            S    1   1.00
                  0.50201095588D-01      1.0000000
            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
                  0.52321923128          1.0000000
            P    1   1.00
                  0.21945569800          1.0000000
            P    1   1.00
                  0.86158996836D-01      1.0000000
            P    1   1.00
                  0.23749464135D-01      1.0000000
            D    6   1.00
                135.60300038             0.81873543290D-03
                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
                  1.2938205124           0.36029482992
            D    1   1.00
                  0.58050830139          1.0000000
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.68002755933D-01      1.0000000
            F    1   1.00
                  2.5000000              1.0000000
            F    1   1.00
                  0.49652793             1.0000000
            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
                  0.37485237136          1.0000000
            S    1   1.00
                  0.16384858778          1.0000000
            S    1   1.00
                  0.27230462048D-01      1.0000000
            S    1   1.00
                  0.11991533212D-01      1.0000000
            P    4   1.00
                  4.2751856154           0.45723074174D-01
                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
                  0.91450850296D-01      1.0000000
            P    1   1.00
                  0.17592078473D-01      1.0000000
            P    1   1.00
                  0.33986441258D-02      1.0000000
            D    1   1.00
                  0.1330000              1.0000000
            D    1   1.00
                  0.33216214821D-01      1.0000000
            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
                  0.27420073547          1.0000000
            S    1   1.00
                  0.40933264188D-01      1.0000000
            S    1   1.00
                  0.18060156423D-01      1.0000000
            P    4   1.00
                  2.9267420000           0.79815276764
                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
                  0.13221792446          1.0000000
            P    1   1.00
                  0.33039565349D-01      1.0000000
            P    1   1.00
                  0.14159090510D-01      1.0000000
            D    4   1.00
                  0.9663150             -0.9089380
                  0.8938280              0.9472400
                  0.2731950              0.3220570
                  0.1038910              0.4732600
            D    1   1.00
                  0.0355780              0.365977
            F    4   1.00
                 10.00                   0.073
                  3.20                   0.210
                  1.00                   0.350
                  0.32                   0.360
            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
                  0.48954926461          1.0000000
            S    1   1.00
                  0.23292032550          1.0000000
            S    1   1.00
                  0.55595529876D-01      1.0000000
            S    1   1.00
                  0.22795184937D-01      1.0000000
            P    4   1.00
                  3.0251610000          -0.28580266654872D+00
                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
                  0.32519427171         -0.58864843929619D+00
            P    1   1.00
                  0.13635489374          1.0000000
            P    1   1.00
                  0.58500000000D-01      1.0000000
            P    1   1.00
                  0.0251000              1.0000000
            D    4   1.00
                  1.2667182018          -0.17445579381106D+00
                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
                  0.13398788830          0.44878277154181D+00
            D    1   1.00
                  0.51275503081D-01      1.0000000
            F    1   1.00
                  0.2568300              1.0000000
            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
                  0.79665469409          1.0000000
            S    1   1.00
                  0.34234072894          1.0000000
            S    1   1.00
                  0.98109197714D-01      1.0000000
            S    1   1.00
                  0.36190984443D-01      1.0000000
            P    4   1.00
                  6.7265310000           0.65076205465872
                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
                  0.20258973792          1.0000000
            P    1   1.00
                  0.82500000000D-01      1.0000000
            P    1   1.00
                  0.0336000              1.0000000
            D    4   1.00
                  3.9820623229          -0.042446023944105
                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
                  0.73099858787D-01      1.0000000
            F    1   1.00
                  0.3154700              1.0000000
            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
                  0.39142776556D-01      1.0000000
            P    4   1.00
                  7.4188720000           0.26979695152
                  5.6984100000          -0.46968874449
                  1.1777211960           0.50905100155
                  0.54478533555          0.52298161137
            P    1   1.00
                  0.22309270117          1.0000000
            P    1   1.00
                  0.98100000000D-01      1.0000000
            P    1   1.00
                  0.0431000              1.0000000
            D    4   1.00
                  3.9738796278          -0.52799310714D-01
                  1.4528884813           0.18558319471
                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
                  0.87909318337D-01      1.0000000
            F    1   1.00
                  0.3738600              1.0000000
            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
            S    1   1.00
                  0.92785370307          1.0000000
            S    1   1.00
                  0.40334458241          1.0000000
            S    1   1.00
                  0.11585976646          1.0000000
            S    1   1.00
                  0.41800474073D-01      1.0000000
            P    4   1.00
                  7.2496570000           0.45857265530
                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
                  0.24106964301          1.0000000
            P    1   1.00
                  0.98600000000D-01      1.0000000
            P    1   1.00
                  0.0403000              1.0000000
            D    4   1.00
                  4.0131231332          -0.63416491808D-01
                  1.6237452450           0.18452733732
                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
                  0.10225296446          1.0000000
            F    1   1.00
                  0.4319900              1.0000000
            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
            S    1   1.00
                  0.43949851581D-01      1.0000000
            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
                  0.25922718696          1.0000000
            P    1   1.00
                  0.11190000000          1.0000000
            P    1   1.00
                  0.04200000000          1.0000000
            D    4   1.00
                  4.0616274916          -0.76667295205D-01
                  1.8487943286           0.18067495215
                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
                  0.11892742980          1.0000000
            F    1   1.00
                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
                  0.46783543749          1.0000000
            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
                  0.47101982911D-01      1.0000000
            P    4   1.00
                  7.9362790000           0.33899369659
                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
                  0.12830000000          1.0000000
            P    1   1.00
                  0.04800000000          1.0000000
            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
                  0.31306011113          1.0000000
            P    1   1.00
                  0.13100000000          1.0000000
            P    1   1.00
                  0.0548000              1.0000000
            D    4   1.00
                  3.6994850000          -0.54840155964653
                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
                  0.48989034059D-01      1.0000000
            P    4   1.00
                  8.1000000000           0.72955608128
                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
                  0.30270484669          1.0000000
            P    1   1.00
                  0.12300000000          1.0000000
            P    1   1.00
                  0.50000000000D-01      1.0000000
            D    4   1.00
                  4.6299536825          -0.87774450596D-01
                  2.1980241252           0.21158360681
                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
                  0.48876985527D-01      1.0000000
            P    4   1.00
                  8.6096650000           0.50053018599
                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
                  0.32384840661          1.0000000
            P    1   1.00
                  0.13220000000          1.0000000
            P    1   1.00
                  0.0540000              1.0000000
            D    4   1.00
                  4.1439490000          -0.37099566643
                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
                  0.16490636769          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
                  9.7729900000           0.21210940502
                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
                  0.34494917659          1.0000000
            P    1   1.00
                  0.15540000000          1.0000000
            P    1   1.00
                  0.07000000000          1.0000000
            D    4   1.00
                  4.2800000000          -0.32033414305491
                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
                  0.18501599388          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/Gau-2160.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      2161.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=11_L-cysteine_conformer04_STD_M11_def2SVPD
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Aug 13 11:07:35 2021, MaxMem=  5637144576 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "11_L-cysteine_conformer04_STD_M11_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.758678000000     -0.589468000000     -0.423124000000
  S                                                -2.509414000000     -0.170412000000     -0.127352000000
  C                                                 0.230755000000      0.153880000000      0.481215000000
  N                                                 0.111160000000      1.599705000000      0.307949000000
  C                                                 1.641223000000     -0.310717000000      0.078875000000
  O                                                 2.078876000000     -1.387971000000      0.375233000000
  O                                                 2.308644000000      0.576119000000     -0.667920000000
  H                                                 0.075206000000     -0.177318000000      1.512130000000
  H                                                -0.583618000000     -0.319599000000     -1.466171000000
  H                                                -0.606490000000     -1.660802000000     -0.322380000000
  H                                                 1.722486000000      1.364748000000     -0.723967000000
  H                                                -0.858059000000      1.853431000000      0.144847000000
  H                                                 0.421765000000      2.097683000000      1.133359000000
  H                                                -2.578746000000     -0.656838000000      1.123866000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     14 NQM=       14 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          32          12          14          12          16          16           1           1           1
 AtmWgt=  12.0000000  31.9720718  12.0000000  14.0030740  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           2           0           0           0           1           1           1
 AtZEff=   3.6000000  13.6000000   3.6000000   4.5500000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000  16.0000000   6.0000000   7.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Fri Aug 13 11:07:36 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.758678   -0.589468   -0.423124
      2         16           0       -2.509414   -0.170412   -0.127352
      3          6           0        0.230755    0.153880    0.481215
      4          7           0        0.111160    1.599705    0.307949
      5          6           0        1.641223   -0.310717    0.078875
      6          8           0        2.078876   -1.387971    0.375233
      7          8           0        2.308644    0.576119   -0.667920
      8          1           0        0.075206   -0.177318    1.512130
      9          1           0       -0.583618   -0.319599   -1.466171
     10          1           0       -0.606490   -1.660802   -0.322380
     11          1           0        1.722486    1.364748   -0.723967
     12          1           0       -0.858059    1.853431    0.144847
     13          1           0        0.421765    2.097683    1.133359
     14          1           0       -2.578746   -0.656838    1.123866
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  S    1.824326   0.000000
     3  C    1.532766   2.825605   0.000000
     4  N    2.466488   3.192211   1.461073   0.000000
     5  C    2.467637   4.158125   1.538554   2.458308   0.000000
     6  O    3.053964   4.773620   2.409167   3.578078   1.199935
     7  O    3.290438   4.905426   2.411725   2.613233   1.337771
     8  H    2.147193   3.060753   1.093926   2.146894   2.127069
     9  H    1.091523   2.350188   2.163261   2.704431   2.708720
    10  H    1.086769   2.424957   2.154023   3.397535   2.652536
    11  H    3.172640   4.541106   2.268023   1.927804   1.859662
    12  H    2.510025   2.626215   2.046249   1.015069   3.306705
    13  H    3.322178   3.914774   2.059162   1.012798   2.898173
    14  H    2.389637   1.344233   2.993920   3.604622   4.361186
                    6          7          8          9         10
     6  O    0.000000
     7  O    2.235757   0.000000
     8  H    2.602481   3.210690   0.000000
     9  H    3.408968   3.131245   3.053616   0.000000
    10  H    2.787883   3.690694   2.455781   1.762840   0.000000
    11  H    2.985417   0.984204   3.176732   2.950594   3.839187
    12  H    4.380109   3.510003   2.619998   2.718962   3.554071
    13  H    3.933263   3.019946   2.332209   3.689391   4.159651
    14  H    4.773725   5.349510   2.724729   3.286724   2.643741
                   11         12         13         14
    11  H    0.000000
    12  H    2.766381   0.000000
    13  H    2.383008   1.635471   0.000000
    14  H    5.099205   3.196982   4.073149   0.000000
 Stoichiometry    C3H7NO2S
 Framework group  C1[X(C3H7NO2S)]
 Deg. of freedom    36
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 0.00D+00
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.758678   -0.589468   -0.423124
      2         16           0       -2.509414   -0.170412   -0.127352
      3          6           0        0.230755    0.153880    0.481215
      4          7           0        0.111160    1.599705    0.307949
      5          6           0        1.641223   -0.310717    0.078875
      6          8           0        2.078876   -1.387971    0.375233
      7          8           0        2.308644    0.576119   -0.667920
      8          1           0        0.075206   -0.177318    1.512130
      9          1           0       -0.583618   -0.319599   -1.466171
     10          1           0       -0.606490   -1.660802   -0.322380
     11          1           0        1.722486    1.364748   -0.723967
     12          1           0       -0.858059    1.853431    0.144847
     13          1           0        0.421765    2.097683    1.133359
     14          1           0       -2.578746   -0.656838    1.123866
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.3792587           1.1726503           1.0134658
 Leave Link  202 at Fri Aug 13 11:07:36 2021, MaxMem=  5637144576 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      3      5
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6      7
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2
 S 5 1.00
     Exponent=  9.1849303010D+03 Coefficients= -2.2294387756D-03
     Exponent=  1.3815105503D+03 Coefficients= -1.6683029937D-02
     Exponent=  3.1387147580D+02 Coefficients= -7.5262436116D-02
     Exponent=  8.8053870623D+01 Coefficients= -1.9376827038D-01
     Exponent=  2.7039914905D+01 Coefficients= -1.7718020803D-01
 S 3 1.00
     Exponent=  4.5648731303D+01 Coefficients= -1.0736062573D-01
     Exponent=  4.9664522326D+00 Coefficients=  6.5066293018D-01
     Exponent=  2.0116242047D+00 Coefficients=  5.9712155354D-01
 S 1 1.00
     Exponent=  3.5661077013D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3507221477D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.4999823506D-02 Coefficients=  1.0000000000D+00
 P 5 1.00
     Exponent=  2.6198233439D+02 Coefficients= -9.2729929822D-03
     Exponent=  6.1306894736D+01 Coefficients= -6.6547669241D-02
     Exponent=  1.9103729887D+01 Coefficients= -2.4828595903D-01
     Exponent=  6.6567720378D+00 Coefficients= -4.8703847402D-01
     Exponent=  2.3959635161D+00 Coefficients= -3.9337850312D-01
 P 1 1.00
     Exponent=  6.1776161679D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.6993376871D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.1706793676D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0172853717D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   223 symmetry adapted cartesian basis functions of A   symmetry.
 There are   209 symmetry adapted basis functions of A   symmetry.
   209 basis functions,   315 primitive gaussians,   223 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       376.0605128178 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   14 NActive=   14 NUniq=   14 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Aug 13 11:07:37 2021, MaxMem=  5637144576 cpu:               6.4 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   209 RedAO= T EigKep=  5.98D-05  NBF=   209
 NBsUse=   209 1.00D-06 EigRej= -1.00D+00 NBFU=   209
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   223   223   223   223   223 MxSgAt=    14 MxSgA2=    14.
 Leave Link  302 at Fri Aug 13 11:07:39 2021, MaxMem=  5637144576 cpu:              10.1 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Aug 13 11:07:40 2021, MaxMem=  5637144576 cpu:               2.4 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "11_L-cysteine_conformer04_STD_M11_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Aug 13 11:07:42 2021, MaxMem=  5637144576 cpu:              12.4 elap:               2.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5637041092 LenY=  5636990922
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -721.405845990100    
 DIIS: error= 4.99D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -721.405845990100     IErMin= 1 ErrMin= 4.99D-03
 ErrMax= 4.99D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.84D-02 BMatP= 1.84D-02
 IDIUse=3 WtCom= 9.50D-01 WtEn= 4.99D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.434 Goal=   None    Shift=    0.000
 GapD=    0.434 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=4.74D-03 MaxDP=1.18D-01              OVMax= 2.09D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.74D-03    CP:  1.00D+00
 E= -721.423903715661     Delta-E=       -0.018057725561 Rises=F Damp=F
 DIIS: error= 1.42D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -721.423903715661     IErMin= 2 ErrMin= 1.42D-03
 ErrMax= 1.42D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.97D-04 BMatP= 1.84D-02
 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.42D-02
 Coeff-Com:  0.165D-01 0.984D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.162D-01 0.984D+00
 Gap=     0.399 Goal=   None    Shift=    0.000
 RMSDP=9.63D-04 MaxDP=2.83D-02 DE=-1.81D-02 OVMax= 9.34D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.20D-04    CP:  9.98D-01  1.13D+00
 E= -721.424761599978     Delta-E=       -0.000857884317 Rises=F Damp=F
 DIIS: error= 1.19D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -721.424761599978     IErMin= 3 ErrMin= 1.19D-03
 ErrMax= 1.19D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.57D-04 BMatP= 9.97D-04
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.19D-02
 Coeff-Com: -0.556D-01 0.448D+00 0.607D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.549D-01 0.443D+00 0.612D+00
 Gap=     0.397 Goal=   None    Shift=    0.000
 RMSDP=1.95D-04 MaxDP=9.49D-03 DE=-8.58D-04 OVMax= 4.54D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.44D-04    CP:  9.98D-01  1.16D+00  9.49D-01
 E= -721.425202966193     Delta-E=       -0.000441366215 Rises=F Damp=F
 DIIS: error= 2.34D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -721.425202966193     IErMin= 4 ErrMin= 2.34D-04
 ErrMax= 2.34D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.26D-05 BMatP= 6.57D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.34D-03
 Coeff-Com: -0.200D-01 0.668D-01 0.201D+00 0.753D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.199D-01 0.666D-01 0.200D+00 0.753D+00
 Gap=     0.396 Goal=   None    Shift=    0.000
 RMSDP=7.73D-05 MaxDP=2.21D-03 DE=-4.41D-04 OVMax= 1.34D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.91D-05    CP:  9.98D-01  1.17D+00  9.97D-01  1.13D+00
 E= -721.425233555848     Delta-E=       -0.000030589655 Rises=F Damp=F
 DIIS: error= 7.48D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -721.425233555848     IErMin= 5 ErrMin= 7.48D-05
 ErrMax= 7.48D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.52D-06 BMatP= 3.26D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.131D-02-0.380D-01-0.264D-01 0.249D+00 0.814D+00
 Coeff:      0.131D-02-0.380D-01-0.264D-01 0.249D+00 0.814D+00
 Gap=     0.396 Goal=   None    Shift=    0.000
 RMSDP=2.90D-05 MaxDP=6.56D-04 DE=-3.06D-05 OVMax= 7.89D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.23D-05    CP:  9.97D-01  1.17D+00  1.02D+00  1.21D+00  1.09D+00
 E= -721.425238234146     Delta-E=       -0.000004678298 Rises=F Damp=F
 DIIS: error= 4.38D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -721.425238234146     IErMin= 6 ErrMin= 4.38D-05
 ErrMax= 4.38D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.91D-07 BMatP= 4.52D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.270D-02-0.260D-01-0.341D-01 0.506D-01 0.407D+00 0.599D+00
 Coeff:      0.270D-02-0.260D-01-0.341D-01 0.506D-01 0.407D+00 0.599D+00
 Gap=     0.396 Goal=   None    Shift=    0.000
 RMSDP=9.02D-06 MaxDP=2.28D-04 DE=-4.68D-06 OVMax= 2.36D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  7.02D-06    CP:  9.97D-01  1.17D+00  1.02D+00  1.23D+00  1.13D+00
                    CP:  1.09D+00
 E= -721.425239073412     Delta-E=       -0.000000839266 Rises=F Damp=F
 DIIS: error= 6.66D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -721.425239073412     IErMin= 7 ErrMin= 6.66D-06
 ErrMax= 6.66D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.24D-08 BMatP= 9.91D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.430D-03-0.101D-02-0.398D-02-0.221D-01-0.151D-01 0.135D+00
 Coeff-Com:  0.907D+00
 Coeff:      0.430D-03-0.101D-02-0.398D-02-0.221D-01-0.151D-01 0.135D+00
 Coeff:      0.907D+00
 Gap=     0.396 Goal=   None    Shift=    0.000
 RMSDP=5.42D-06 MaxDP=1.83D-04 DE=-8.39D-07 OVMax= 9.12D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.96D-06    CP:  9.97D-01  1.17D+00  1.02D+00  1.23D+00  1.15D+00
                    CP:  1.24D+00  1.24D+00
 E= -721.425239144279     Delta-E=       -0.000000070867 Rises=F Damp=F
 DIIS: error= 3.00D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -721.425239144279     IErMin= 8 ErrMin= 3.00D-06
 ErrMax= 3.00D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.23D-09 BMatP= 4.24D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.154D-03 0.249D-02 0.256D-02-0.128D-01-0.472D-01-0.235D-01
 Coeff-Com:  0.290D+00 0.788D+00
 Coeff:     -0.154D-03 0.249D-02 0.256D-02-0.128D-01-0.472D-01-0.235D-01
 Coeff:      0.290D+00 0.788D+00
 Gap=     0.396 Goal=   None    Shift=    0.000
 RMSDP=1.72D-06 MaxDP=7.26D-05 DE=-7.09D-08 OVMax= 3.45D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  9.70D-07    CP:  9.97D-01  1.17D+00  1.02D+00  1.23D+00  1.16D+00
                    CP:  1.29D+00  1.32D+00  1.17D+00
 E= -721.425239153142     Delta-E=       -0.000000008863 Rises=F Damp=F
 DIIS: error= 1.19D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -721.425239153142     IErMin= 9 ErrMin= 1.19D-06
 ErrMax= 1.19D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.13D-10 BMatP= 6.23D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.768D-04 0.754D-03 0.110D-02-0.179D-02-0.111D-01-0.233D-01
 Coeff-Com: -0.159D-01 0.226D+00 0.824D+00
 Coeff:     -0.768D-04 0.754D-03 0.110D-02-0.179D-02-0.111D-01-0.233D-01
 Coeff:     -0.159D-01 0.226D+00 0.824D+00
 Gap=     0.396 Goal=   None    Shift=    0.000
 RMSDP=6.93D-07 MaxDP=3.04D-05 DE=-8.86D-09 OVMax= 1.36D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.92D-07    CP:  9.97D-01  1.17D+00  1.02D+00  1.23D+00  1.16D+00
                    CP:  1.30D+00  1.36D+00  1.32D+00  1.14D+00
 E= -721.425239154149     Delta-E=       -0.000000001007 Rises=F Damp=F
 DIIS: error= 2.88D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -721.425239154149     IErMin=10 ErrMin= 2.88D-07
 ErrMax= 2.88D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.48D-11 BMatP= 6.13D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.204D-05-0.935D-04-0.111D-04 0.979D-03 0.306D-02-0.298D-02
 Coeff-Com: -0.330D-01-0.378D-01 0.172D+00 0.898D+00
 Coeff:     -0.204D-05-0.935D-04-0.111D-04 0.979D-03 0.306D-02-0.298D-02
 Coeff:     -0.330D-01-0.378D-01 0.172D+00 0.898D+00
 Gap=     0.396 Goal=   None    Shift=    0.000
 RMSDP=2.35D-07 MaxDP=9.79D-06 DE=-1.01D-09 OVMax= 5.04D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.04D-07    CP:  9.97D-01  1.17D+00  1.02D+00  1.23D+00  1.16D+00
                    CP:  1.31D+00  1.37D+00  1.37D+00  1.25D+00  1.12D+00
 E= -721.425239154253     Delta-E=       -0.000000000104 Rises=F Damp=F
 DIIS: error= 9.24D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -721.425239154253     IErMin=11 ErrMin= 9.24D-08
 ErrMax= 9.24D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.65D-12 BMatP= 5.48D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.742D-05-0.958D-04-0.118D-03 0.393D-03 0.180D-02 0.165D-02
 Coeff-Com: -0.485D-02-0.334D-01-0.487D-01 0.192D+00 0.891D+00
 Coeff:      0.742D-05-0.958D-04-0.118D-03 0.393D-03 0.180D-02 0.165D-02
 Coeff:     -0.485D-02-0.334D-01-0.487D-01 0.192D+00 0.891D+00
 Gap=     0.396 Goal=   None    Shift=    0.000
 RMSDP=7.61D-08 MaxDP=3.16D-06 DE=-1.04D-10 OVMax= 2.10D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.95D-08    CP:  9.97D-01  1.17D+00  1.02D+00  1.23D+00  1.16D+00
                    CP:  1.31D+00  1.37D+00  1.38D+00  1.29D+00  1.23D+00
                    CP:  1.19D+00
 E= -721.425239154255     Delta-E=       -0.000000000002 Rises=F Damp=F
 DIIS: error= 3.80D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -721.425239154255     IErMin=12 ErrMin= 3.80D-08
 ErrMax= 3.80D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.14D-13 BMatP= 5.65D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.209D-05-0.140D-04-0.276D-04-0.892D-05 0.102D-03 0.649D-03
 Coeff-Com:  0.240D-02-0.396D-02-0.276D-01-0.522D-01 0.203D+00 0.877D+00
 Coeff:      0.209D-05-0.140D-04-0.276D-04-0.892D-05 0.102D-03 0.649D-03
 Coeff:      0.240D-02-0.396D-02-0.276D-01-0.522D-01 0.203D+00 0.877D+00
 Gap=     0.396 Goal=   None    Shift=    0.000
 RMSDP=2.12D-08 MaxDP=7.58D-07 DE=-1.59D-12 OVMax= 8.13D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.19D-08    CP:  9.97D-01  1.17D+00  1.02D+00  1.23D+00  1.16D+00
                    CP:  1.31D+00  1.37D+00  1.38D+00  1.30D+00  1.24D+00
                    CP:  1.27D+00  1.22D+00
 E= -721.425239154280     Delta-E=       -0.000000000025 Rises=F Damp=F
 DIIS: error= 1.66D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -721.425239154280     IErMin=13 ErrMin= 1.66D-08
 ErrMax= 1.66D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.89D-14 BMatP= 7.14D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.624D-06 0.106D-04 0.116D-04-0.559D-04-0.234D-03-0.124D-03
 Coeff-Com:  0.118D-02 0.391D-02 0.132D-02-0.396D-01-0.815D-01 0.182D+00
 Coeff-Com:  0.933D+00
 Coeff:     -0.624D-06 0.106D-04 0.116D-04-0.559D-04-0.234D-03-0.124D-03
 Coeff:      0.118D-02 0.391D-02 0.132D-02-0.396D-01-0.815D-01 0.182D+00
 Coeff:      0.933D+00
 Gap=     0.396 Goal=   None    Shift=    0.000
 RMSDP=8.72D-09 MaxDP=3.00D-07 DE=-2.50D-11 OVMax= 4.24D-07

 SCF Done:  E(RM11) =  -721.425239154     A.U. after   13 cycles
            NFock= 13  Conv=0.87D-08     -V/T= 2.0067
 KE= 7.165903519433D+02 PE=-2.452524246812D+03 EE= 6.384481428969D+02
 Leave Link  502 at Fri Aug 13 11:09:02 2021, MaxMem=  5637144576 cpu:             632.6 elap:              79.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   209
 NBasis=   209 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    209 NOA=    32 NOB=    32 NVA=   177 NVB=   177

 **** Warning!!: The largest alpha MO coefficient is  0.32585160D+02

 Leave Link  801 at Fri Aug 13 11:09:03 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4257 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          14
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 9.44D-14 8.33D-09 XBig12= 1.00D+00 2.62D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 9.44D-14 8.33D-09 XBig12= 1.56D-01 9.91D-02.
     11 vectors produced by pass  2 Test12= 9.44D-14 8.33D-09 XBig12= 2.38D-02 3.55D-02.
     11 vectors produced by pass  3 Test12= 9.44D-14 8.33D-09 XBig12= 2.10D-03 1.05D-02.
     11 vectors produced by pass  4 Test12= 9.44D-14 8.33D-09 XBig12= 9.43D-05 1.86D-03.
     11 vectors produced by pass  5 Test12= 9.44D-14 8.33D-09 XBig12= 3.57D-06 3.09D-04.
     11 vectors produced by pass  6 Test12= 9.44D-14 8.33D-09 XBig12= 1.18D-07 4.13D-05.
     11 vectors produced by pass  7 Test12= 9.44D-14 8.33D-09 XBig12= 2.98D-09 6.89D-06.
     11 vectors produced by pass  8 Test12= 9.44D-14 8.33D-09 XBig12= 6.94D-11 1.26D-06.
     11 vectors produced by pass  9 Test12= 9.44D-14 8.33D-09 XBig12= 1.21D-12 1.67D-07.
      2 vectors produced by pass 10 Test12= 9.44D-14 8.33D-09 XBig12= 1.78D-14 1.94D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   112 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.898067D+02
      2 -0.896782D+00  0.742267D+02
      3 -0.244506D+01 -0.227756D+01  0.635644D+02
 Isotropic polarizability for W=    0.088559       75.87 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.969170D+02 -0.152358D+02 -0.136148D+02
      2   0.552655D+02  0.103541D+02  0.447015D+01
      3   0.416515D+02  0.488170D+01  0.914465D+01
      4  -0.214527D+02 -0.132846D+02 -0.165024D+02
      5  -0.398312D+01 -0.177977D+02 -0.466482D+02
      6  -0.398886D+01  0.121823D+02  0.728168D+00
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.344764D+01  0.106924D+01 -0.639278D+00
      2   0.132709D+01 -0.794778D+01 -0.296285D+02
      3   0.721061D+01  0.152601D+02  0.648091D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.129530D+01  0.771220D+01  0.415353D+01
      2  -0.963168D+01 -0.125135D+02 -0.882997D+02
      3  -0.621686D+01  0.685501D+02  0.138088D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.105726D+01 -0.839019D+00 -0.190075D+01
      2  -0.839019D+00  0.183589D+01  0.112342D+01
      3  -0.190075D+01  0.112342D+01  0.120214D+01
 OR G Eigenvalues:    -2.1472     0.6567     3.4712  Iso=    -0.6603
 Eigenvectors:
   (1)   0.875624   0.048920   0.480509
   (2)   0.280056   0.759121  -0.587626
   (3)  -0.393511   0.649109   0.651004
 w=    0.088559 a.u., Optical Rotation Beta=     -0.6603 au.
 Molar Mass =    121.1538 grams/mole, [Alpha] ( 5145.0 A) =     -276.34 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   21945 ScalPx= 3.99D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   21945 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.13D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.57D-14 2.78D-09 XBig12= 1.00D+00 3.93D-01.
     30 vectors produced by pass  1 Test12= 1.57D-14 2.78D-09 XBig12= 3.89D-02 3.90D-02.
     30 vectors produced by pass  2 Test12= 1.57D-14 2.78D-09 XBig12= 1.10D-03 5.54D-03.
     30 vectors produced by pass  3 Test12= 1.57D-14 2.78D-09 XBig12= 1.99D-05 9.09D-04.
     30 vectors produced by pass  4 Test12= 1.57D-14 2.78D-09 XBig12= 2.30D-07 5.06D-05.
     30 vectors produced by pass  5 Test12= 1.57D-14 2.78D-09 XBig12= 2.31D-09 5.31D-06.
     30 vectors produced by pass  6 Test12= 1.57D-14 2.78D-09 XBig12= 1.81D-11 3.88D-07.
     30 vectors produced by pass  7 Test12= 1.57D-14 2.78D-09 XBig12= 1.35D-13 3.49D-08.
      1 vectors produced by pass  8 Test12= 1.57D-14 2.78D-09 XBig12= 6.95D-16 2.78D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.67D-15
 Solved reduced A of dimension   241 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   21945 ScalPx= 1.80D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   21945 ScalPx= 1.80D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   21945 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.01D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.898067D+02 -0.896782D+00 -0.244506D+01
      2  -0.896782D+00  0.742267D+02 -0.227756D+01
      3  -0.244506D+01 -0.227756D+01  0.635644D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.344764D+01  0.106924D+01 -0.639278D+00
      2   0.132709D+01 -0.794778D+01 -0.296285D+02
      3   0.721061D+01  0.152601D+02  0.648091D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.969170D+02 -0.152358D+02 -0.136148D+02
      2   0.552655D+02  0.103541D+02  0.447015D+01
      3   0.416515D+02  0.488170D+01  0.914465D+01
      4  -0.214527D+02 -0.132846D+02 -0.165024D+02
      5  -0.398312D+01 -0.177977D+02 -0.466482D+02
      6  -0.398886D+01  0.121823D+02  0.728168D+00
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.108466D+02 -0.249806D+01 -0.163135D+01 -0.508902D+01 -0.212578D+01
      2  -0.249806D+01  0.126735D+00  0.193238D+00 -0.212578D+01  0.426563D+01
      3  -0.163135D+01  0.193238D+00 -0.475489D+00 -0.484823D+00 -0.206762D-01
                 6             7             8             9            10 
      1  -0.484823D+00 -0.444323D+01 -0.216148D+00 -0.160289D+01 -0.178604D+02
      2  -0.206762D-01 -0.216148D+00 -0.115042D+01 -0.106556D+01  0.214026D+01
      3  -0.148529D+01 -0.160289D+01 -0.106556D+01  0.477625D+01 -0.315446D+00
                11            12            13            14            15 
      1   0.214026D+01 -0.315446D+00  0.431540D+01 -0.341965D+01 -0.788904D-01
      2  -0.274095D+01 -0.452384D+00 -0.341965D+01  0.304150D+00 -0.960965D+00
      3  -0.452384D+00 -0.116138D+01 -0.788904D-01 -0.960965D+00  0.286636D+01
                16            17            18            19            20 
      1  -0.112238D+01 -0.261596D+00 -0.231263D+01 -0.184686D+01  0.171393D+01
      2  -0.261596D+00 -0.152381D+01  0.263924D+01  0.171393D+01  0.563299D+00
      3  -0.231263D+01  0.263924D+01 -0.738447D+01  0.146479D+01 -0.161666D+00
                21            22            23            24            25 
      1   0.146479D+01  0.540398D+01  0.531799D+00  0.338186D+00  0.506853D+01
      2  -0.161666D+00  0.531799D+00 -0.164718D+01 -0.452345D+00 -0.869929D-01
      3   0.884395D+00  0.338186D+00 -0.452345D+00  0.227083D+01  0.153535D+01
                26            27            28            29            30 
      1  -0.869929D-01  0.153535D+01  0.501923D+01  0.334639D+00 -0.320551D+00
      2  -0.429456D-01  0.278082D+01  0.334639D+00  0.965588D+00  0.499090D-01
      3   0.278082D+01 -0.491961D+01 -0.320551D+00  0.499090D-01 -0.127438D+01
                31            32            33            34            35 
      1  -0.137034D+01  0.181153D+00 -0.674064D+00 -0.541562D+00 -0.659013D+00
      2   0.181153D+00  0.299956D+01 -0.132213D+01 -0.659013D+00 -0.305286D+01
      3  -0.674064D+00 -0.132213D+01 -0.167103D+01 -0.145996D+01 -0.186215D+01
                36            37            38            39            40 
      1  -0.145996D+01  0.247654D+01 -0.147046D+00 -0.100928D+01  0.132684D+01
      2  -0.186215D+01 -0.147046D+00 -0.136382D+01  0.136310D+01 -0.244878D+01
      3  -0.203915D+01 -0.100928D+01  0.136310D+01  0.101602D-01  0.119586D+01
                41            42            43            44            45 
      1  -0.244878D+01  0.119586D+01 -0.113520D+01  0.157680D+01 -0.236646D+00
      2   0.456288D+01 -0.101224D+01  0.157680D+01 -0.111114D+01 -0.393828D+00
      3  -0.101224D+01  0.367236D+00 -0.236646D+00 -0.393828D+00  0.313429D+00
                46            47            48            49            50 
      1   0.454382D+01 -0.393757D+01  0.140015D+01 -0.559133D+01  0.389635D+01
      2  -0.393757D+01  0.308273D+01 -0.960980D+00  0.389635D+01 -0.108254D+02
      3   0.140015D+01 -0.960980D+00  0.103844D+01 -0.655681D+00  0.186314D+01
                51            52            53            54            55 
      1  -0.655681D+00  0.148123D+01 -0.746685D+00  0.195775D+01  0.609121D+01
      2   0.186314D+01 -0.746685D+00  0.136718D+01 -0.281625D+01  0.101766D+01
      3  -0.248181D+01  0.195775D+01 -0.281625D+01  0.223037D+01 -0.238859D+01
                56            57            58            59            60 
      1   0.101766D+01 -0.238859D+01 -0.169180D+01  0.327445D+01  0.546796D+00
      2   0.255691D+01 -0.488557D+00  0.327445D+01 -0.180117D+00 -0.623134D+00
      3  -0.488557D+00  0.140673D+01  0.546796D+00 -0.623134D+00 -0.116946D+00
                61            62            63            64            65 
      1  -0.229547D+01 -0.729537D+00  0.168681D+01 -0.323981D+00 -0.767584D+00
      2  -0.729537D+00 -0.185472D+00  0.124879D+01 -0.767584D+00 -0.329035D+00
      3   0.168681D+01  0.124879D+01 -0.268942D+01  0.990795D+00  0.503389D-01
                66            67            68            69            70 
      1   0.990795D+00 -0.136376D+01 -0.333863D+00  0.830101D-02  0.937609D+00
      2   0.503389D-01 -0.333863D+00 -0.118386D+01  0.149389D+01  0.440672D-01
      3  -0.740631D+00  0.830101D-02  0.149389D+01 -0.166576D+01 -0.200825D+00
                71            72            73            74            75 
      1   0.440672D-01 -0.200825D+00 -0.311693D+00  0.467889D+00 -0.862657D+00
      2   0.192186D+01 -0.168432D+01  0.467889D+00  0.149979D+00 -0.203754D-01
      3  -0.168432D+01  0.698167D+01 -0.862657D+00 -0.203754D-01  0.773567D+00
                76            77            78            79            80 
      1   0.158878D+01  0.544010D+00 -0.172673D+00 -0.186743D+01 -0.129846D+00
      2   0.544010D+00  0.541744D-01 -0.102077D+01 -0.129846D+00 -0.984949D+00
      3  -0.172673D+00 -0.102077D+01  0.131882D+01  0.117678D+01  0.760972D-01
                81            82            83            84            85 
      1   0.117678D+01  0.374319D+00 -0.829233D+00  0.226268D+00 -0.242599D+01
      2   0.760972D-01 -0.829233D+00  0.380167D+00  0.828684D-01  0.165610D+01
      3  -0.742492D+01  0.226268D+00  0.828684D-01  0.207751D+00  0.260976D+00
                86            87            88            89            90 
      1   0.165610D+01  0.260976D+00  0.134905D+01 -0.627872D-01  0.433502D+00
      2  -0.679701D+01 -0.621057D+00 -0.627872D-01  0.415743D+00 -0.784069D+00
      3  -0.621057D+00 -0.804588D+00  0.433502D+00 -0.784069D+00 -0.375802D+00
                91            92            93            94            95 
      1  -0.227245D+01  0.158291D+01  0.100755D+01  0.368712D+01 -0.393251D+00
      2   0.158291D+01 -0.113536D+01 -0.568224D-01 -0.393251D+00  0.386907D+01
      3   0.100755D+01 -0.568224D-01 -0.374308D+00 -0.111598D+01 -0.840381D+00
                96            97            98            99           100 
      1  -0.111598D+01  0.223626D+00 -0.266729D+00  0.254202D+00 -0.633162D+01
      2  -0.840381D+00 -0.266729D+00 -0.819598D+00  0.756226D+00  0.556053D+00
      3   0.145341D+01  0.254202D+00  0.756226D+00 -0.125499D+01 -0.636232D+00
               101           102           103           104           105 
      1   0.556053D+00 -0.636232D+00  0.142590D+01 -0.144167D+01 -0.101584D+00
      2  -0.300882D+01 -0.211076D+00 -0.144167D+01  0.181857D+01  0.339250D-01
      3  -0.211076D+00 -0.618156D+00 -0.101584D+00  0.339250D-01  0.723723D+00
               106           107           108           109           110 
      1  -0.126261D+01 -0.147266D+00 -0.675529D-01  0.947140D+00  0.958571D+00
      2  -0.147266D+00 -0.289324D+00  0.717921D+00  0.958571D+00  0.113613D+01
      3  -0.675529D-01  0.717921D+00 -0.835395D-01  0.717668D+00  0.567354D+00
               111           112           113           114           115 
      1   0.717668D+00  0.845165D+00  0.858803D+00  0.486135D+00  0.108998D+01
      2   0.567354D+00  0.858803D+00  0.367352D+01  0.213672D+01  0.100284D+01
      3   0.145066D+01  0.486135D+00  0.213672D+01  0.227542D+01  0.132308D+01
               116           117           118           119           120 
      1   0.100284D+01  0.132308D+01 -0.135179D+01 -0.592423D+00  0.135688D+01
      2   0.345050D+01  0.312583D+01 -0.592423D+00 -0.383558D+00  0.450489D-01
      3   0.312583D+01  0.355692D+01  0.135688D+01  0.450489D-01 -0.112736D+01
               121           122           123           124           125 
      1  -0.106094D+01 -0.779667D+00  0.447438D+00  0.251787D+01  0.682896D+00
      2  -0.779667D+00 -0.913982D+00  0.134601D+01  0.682896D+00  0.200523D+01
      3   0.447438D+00  0.134601D+01 -0.305038D+01 -0.248698D+01 -0.273876D+01
               126 
      1  -0.248698D+01
      2  -0.273876D+01
      3   0.831326D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.295512D+00  0.340766D-01  0.260129D+00  0.774804D+00 -0.399561D+01
      2   0.487267D+01 -0.155996D+01  0.556257D+00 -0.149893D+00 -0.106967D+01
      3  -0.663455D+01  0.434266D+01  0.221661D+01  0.122557D+02  0.603260D+01
                 6             7             8             9            10 
      1  -0.435028D+01 -0.164027D+01  0.183576D+01  0.475036D+01 -0.755728D+00
      2   0.631096D+00 -0.994642D+01  0.111478D+01 -0.305179D+01 -0.437484D+01
      3   0.157633D+00  0.144458D+01 -0.130184D+01  0.321469D+00  0.137204D+02
                11            12            13            14            15 
      1   0.106551D+01 -0.128751D+01  0.305970D+01 -0.100512D+00 -0.850884D+01
      2   0.124518D+01  0.845111D+01 -0.699879D+00  0.171852D+01 -0.743417D+01
      3  -0.128856D+02 -0.137777D+01  0.760027D+01  0.244266D+01 -0.314929D+01
                16            17            18            19            20 
      1  -0.582266D+00  0.740881D+01 -0.170188D+01  0.220067D+00 -0.433131D-02
      2  -0.996290D+01 -0.824368D+01  0.216166D+02  0.104367D+02  0.236981D+00
      3   0.249286D+00 -0.511200D+01  0.846612D+01 -0.478106D+01 -0.795518D+01
                21            22            23            24            25 
      1  -0.216188D+00 -0.313806D+01 -0.124280D+01  0.751448D+00  0.217411D+00
      2   0.513733D+01 -0.783724D-01 -0.284267D+00 -0.698313D+00 -0.447654D+01
      3  -0.135916D+01  0.246073D+00  0.128055D+01  0.216187D+01 -0.198002D+01
                26            27            28            29            30 
      1   0.334815D+01  0.806962D+00 -0.157260D+00  0.489828D+00  0.222767D+01
      2   0.146509D+01 -0.364649D+01 -0.168950D+01 -0.291250D+00  0.272648D+01
      3   0.123591D+01 -0.410905D+00  0.168692D+02 -0.492789D+01  0.959339D+00
                31            32            33            34            35 
      1   0.182805D+01  0.617644D+01 -0.207324D+01  0.306883D+01  0.803224D+01
      2  -0.281828D+00 -0.471767D+00  0.215064D+00 -0.400611D+01 -0.682381D-01
      3   0.136859D+01 -0.165964D+01 -0.112775D+01  0.115161D+01  0.284233D+00
                36            37            38            39            40 
      1   0.510998D+01  0.113152D+01  0.117241D+01 -0.297736D+01  0.199600D+01
      2  -0.646844D+00 -0.118987D+02  0.118298D+00 -0.421410D+01 -0.442325D+01
      3  -0.328072D+01  0.883261D+01  0.282028D+01 -0.116027D+00  0.614253D+01
                41            42            43            44            45 
      1   0.614702D+01  0.487802D+01 -0.112291D+00  0.548854D+01 -0.638857D+01
      2  -0.996312D+00  0.473345D+01 -0.145108D+02  0.197578D+01  0.602647D+01
      3  -0.135932D+02 -0.121784D+01  0.198386D+01 -0.230539D+01 -0.879783D+00
                46            47            48            49            50 
      1  -0.172782D+00  0.124735D+01  0.403378D+01  0.387273D+00 -0.266682D+01
      2   0.244559D+01 -0.703855D+00  0.666165D+01  0.470998D+01  0.278304D+01
      3   0.340528D+00 -0.831467D+01  0.111614D+01  0.424402D+01  0.217137D+02
                51            52            53            54            55 
      1  -0.930513D+01  0.626724D-02  0.210094D+01  0.250528D+01  0.246221D+01
      2  -0.729625D+01  0.269846D+01 -0.571514D+01  0.311200D+01  0.210197D+01
      3  -0.253612D+01  0.769279D-01 -0.195795D+01  0.548229D+01  0.546443D+01
                56            57            58            59            60 
      1  -0.461424D+01 -0.222972D+01 -0.479667D+01  0.194749D+01 -0.191904D+01
      2  -0.267906D+01  0.717793D+01 -0.731936D+00  0.528814D+00 -0.247724D-01
      3  -0.142961D+02 -0.328647D+00 -0.107976D+02  0.461586D+01  0.345805D+01
                61            62            63            64            65 
      1  -0.119448D+01  0.319908D+01  0.191268D+01 -0.379194D+00 -0.548793D+00
      2   0.446554D+01  0.176939D+01 -0.779358D+01  0.709871D+00  0.279495D+00
      3  -0.208139D+01  0.252503D+01 -0.210096D+01 -0.141149D+00  0.935554D-01
                66            67            68            69            70 
      1  -0.397414D-01  0.293748D+00 -0.140322D+01 -0.199969D+00 -0.429654D-01
      2  -0.169322D+00  0.923129D+00  0.912429D+00 -0.538725D+00 -0.294121D+01
      3   0.339435D+00  0.233150D+01  0.237846D+00 -0.720629D+00 -0.761168D+00
                71            72            73            74            75 
      1   0.324524D+01  0.275862D+00 -0.129852D+01 -0.743195D+00  0.509134D+00
      2  -0.637966D+00  0.275912D+01  0.198944D+01  0.416627D+00  0.250295D+00
      3  -0.254918D+00  0.274335D+00  0.406425D+00 -0.145644D+01  0.304453D+00
                76            77            78            79            80 
      1  -0.830043D+00 -0.792917D+00  0.815748D+00  0.905620D+00  0.258479D+01
      2   0.167366D+01  0.141168D+01 -0.137034D+01 -0.511354D+01 -0.434973D+00
      3   0.330006D+00 -0.520459D-02 -0.742933D+00  0.996690D+00 -0.357771D+00
                81            82            83            84            85 
      1  -0.520813D+01  0.115520D+01 -0.695101D+00  0.711241D+00 -0.162296D+01
      2   0.689979D+01  0.226031D+00 -0.192521D+00  0.139758D+01 -0.151213D+01
      3  -0.611761D+00 -0.378930D+01 -0.112281D+01 -0.602175D+00  0.511619D+01
                86            87            88            89            90 
      1   0.405076D+01 -0.196698D+01  0.872243D+00 -0.256603D+00 -0.853468D-01
      2   0.139266D+01  0.358778D+00 -0.646550D+00  0.126729D+00  0.333986D+00
      3  -0.514447D+01 -0.250085D+00 -0.163981D+01  0.774195D+00 -0.756207D+00
                91            92            93            94            95 
      1  -0.376017D+01  0.406177D+01  0.365149D+00  0.469162D+01 -0.356803D+01
      2  -0.285038D+01  0.215735D+01 -0.167707D+01  0.101585D+01 -0.326367D+01
      3  -0.854393D+01  0.867870D+01  0.162899D+01  0.107215D+02 -0.122238D+02
                96            97            98            99           100 
      1  -0.206982D+01  0.146278D+00  0.663887D+00  0.107677D+01  0.193983D+01
      2   0.274749D+01 -0.174348D+01  0.179975D+01 -0.429914D+00  0.133345D+01
      3  -0.556164D+00  0.143170D+01  0.149279D+00 -0.996287D+00 -0.205814D+02
               101           102           103           104           105 
      1  -0.503314D+00  0.209311D+01 -0.150956D+00  0.782820D+00 -0.113531D+01
      2  -0.504568D+00  0.581372D+00 -0.422170D-01  0.614610D+00 -0.108992D+01
      3  -0.105560D+01 -0.187962D+01  0.331520D+01 -0.215206D+01 -0.661411D+00
               106           107           108           109           110 
      1   0.815524D-01 -0.794227D-01  0.612355D+00 -0.838308D+00 -0.114999D+01
      2  -0.142478D+01 -0.112055D+01 -0.197346D+00 -0.634195D-01  0.348655D+00
      3  -0.370679D+01 -0.747772D+00  0.739586D+00  0.126554D+01  0.780189D+00
               111           112           113           114           115 
      1  -0.334509D+01 -0.730113D+00 -0.301222D+01 -0.492842D+01 -0.227555D+01
      2   0.759057D+00 -0.363186D+00  0.402517D+00  0.732345D+00 -0.140485D+01
      3   0.458213D+00  0.263568D+01  0.609799D-01  0.153527D+00  0.228144D+01
               116           117           118           119           120 
      1  -0.395037D+01 -0.679223D+01  0.157627D+00  0.188018D+00 -0.104609D+00
      2   0.674320D+00  0.113319D+01 -0.445517D+01 -0.996113D-02  0.414562D+01
      3   0.563356D+00  0.169363D+01 -0.198932D+01 -0.181771D+01 -0.219684D+00
               121           122           123           124           125 
      1  -0.546079D+00 -0.118383D+01 -0.177238D+01  0.111220D+00  0.349561D+01
      2  -0.399203D-01 -0.367858D+01  0.903428D+01  0.413314D+01  0.774039D+01
      3  -0.629688D+00 -0.205160D+01  0.381285D+01  0.553086D+00  0.650563D+01
               126 
      1   0.198583D+01
      2  -0.248969D+02
      3  -0.794080D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.506684D+02  0.690606D+01  0.336815D+01  0.112205D+02  0.146230D+02
      2   0.251604D+02 -0.313248D+01 -0.302647D+01 -0.365087D+01 -0.157151D+02
      3   0.255080D+02 -0.377357D+01 -0.341679D+00 -0.756964D+01  0.109211D+01
      4   0.178248D+01 -0.919845D+01 -0.905679D+00  0.101677D+02 -0.385262D+01
      5   0.464715D+00 -0.155954D+01 -0.598627D+01  0.134935D+01 -0.784746D+00
      6   0.315852D+01  0.353971D+00 -0.713474D-01  0.574379D-01 -0.153335D+00
                 6             7             8             9            10 
      1  -0.395206D+00  0.108105D+02  0.199356D-01  0.109064D+02  0.105062D+03
      2  -0.259166D+01 -0.688210D+01 -0.865950D+00  0.244108D+01 -0.519835D+02
      3   0.298686D+01 -0.392842D+01  0.846014D+00 -0.133475D+02 -0.530788D+02
      4  -0.513336D+00  0.463334D+01  0.321875D+01  0.228291D+01 -0.220317D+00
      5   0.787484D+00  0.355996D+01  0.762067D-01 -0.331014D+01  0.549279D+01
      6   0.328132D+01  0.953509D+00  0.143979D+01 -0.167683D+01  0.582400D+00
                11            12            13            14            15 
      1  -0.995626D+01  0.246229D+01 -0.196373D+02  0.213928D+01 -0.320159D+01
      2   0.702796D+01 -0.211717D+01  0.158560D+02  0.166365D+02  0.149659D+01
      3   0.292831D+01 -0.345119D+00  0.378137D+01 -0.187758D+02  0.170500D+01
      4   0.290573D+02  0.412849D+01  0.323580D+02  0.427140D+01  0.668375D+01
      5   0.365100D+01  0.167916D+02  0.903633D+00  0.679886D+01 -0.136071D+02
      6   0.717546D+00  0.623428D+00  0.224731D+01  0.365374D+01  0.105104D+02
                16            17            18            19            20 
      1   0.115665D+01 -0.212273D+01  0.349744D+01 -0.126183D+01  0.177483D+01
      2  -0.474614D+01 -0.160696D+01 -0.106424D+02  0.276098D+01  0.887022D+00
      3   0.358949D+01  0.372968D+01  0.714493D+01 -0.149915D+01 -0.266186D+01
      4   0.318249D+01  0.844389D+01 -0.130445D+02  0.280965D+00  0.548474D+01
      5   0.245111D+02 -0.131650D+02  0.402194D+02  0.519006D+01 -0.605946D+00
      6  -0.132353D+00  0.130093D+02  0.106848D+02  0.100975D+01 -0.135815D+01
                21            22            23            24            25 
      1   0.497645D+00 -0.328335D+01  0.406296D+01 -0.507119D+01 -0.853967D+01
      2  -0.192258D+01  0.228073D+01 -0.341768D+01 -0.281926D+01  0.314601D+01
      3   0.142494D+01  0.100262D+01 -0.645278D+00  0.789045D+01  0.539366D+01
      4  -0.174287D+01 -0.701140D+01 -0.607748D+01  0.809804D-01 -0.508893D+01
      5   0.417211D+01  0.415934D+00  0.482301D+00 -0.838752D+00  0.564208D+00
      6  -0.781874D-01  0.146135D+01  0.630394D+00 -0.725377D+01 -0.103974D+01
                26            27            28            29            30 
      1  -0.537524D+01  0.423670D+01  0.414128D+01 -0.257825D+01 -0.176495D+01
      2  -0.203856D+01  0.103289D+02 -0.422835D+01  0.419388D+01  0.206294D+01
      3   0.741380D+01 -0.145656D+02  0.870733D-01 -0.161564D+01 -0.297993D+00
      4  -0.365928D+01  0.533217D-02  0.790893D+01 -0.291548D+01 -0.142797D+01
      5   0.968677D+00 -0.143499D+01 -0.131342D+01 -0.167996D+01  0.427563D+01
      6   0.905803D+00  0.389179D+01 -0.870733D+00 -0.865014D+00 -0.535890D+01
                31            32            33            34            35 
      1   0.175145D+01 -0.126835D+02  0.668694D+01  0.194571D+01  0.875885D+01
      2   0.550251D+00  0.215028D+02 -0.529077D+01  0.295109D-01 -0.888004D+01
      3  -0.230170D+01 -0.881923D+01 -0.139617D+01 -0.197522D+01  0.121196D+00
      4   0.232429D+01  0.444115D+01 -0.283056D+01 -0.100391D+01 -0.243533D+01
      5  -0.156457D+01 -0.167780D+01 -0.883658D+00  0.212280D+01 -0.111100D+01
      6  -0.478824D+01 -0.892374D+01  0.352443D+00 -0.618592D+01 -0.677064D+01
                36            37            38            39            40 
      1   0.373557D+01 -0.518553D+01 -0.804044D+01 -0.133515D+01  0.788337D+01
      2  -0.735369D+01 -0.499444D+00  0.996661D+01 -0.341806D+01 -0.164495D+01
      3   0.361812D+01  0.568497D+01 -0.192617D+01  0.475321D+01 -0.623842D+01
      4  -0.376330D+01  0.486162D+01 -0.171907D+02  0.567467D+01 -0.241436D+02
      5  -0.302995D+01 -0.349216D+01  0.709626D+01 -0.952674D+01  0.131593D+02
      6  -0.117041D+02  0.594614D+00  0.496656D-01  0.370827D+01 -0.666219D+00
                41            42            43            44            45 
      1   0.848226D+00  0.681285D+00  0.113908D+01  0.541941D+01 -0.287017D+01
      2  -0.137211D+02 -0.566129D+01 -0.260627D+01  0.168435D+01 -0.172400D+01
      3   0.128728D+02  0.498000D+01  0.146719D+01 -0.710377D+01  0.459417D+01
      4   0.271351D+02 -0.438221D+01  0.130705D+02  0.181548D+01  0.249199D+01
      5  -0.550288D+01  0.845993D+01 -0.253065D+01  0.166845D+01  0.522971D+01
      6   0.489753D+01 -0.830214D+01  0.121780D+01  0.259093D+01  0.497247D+01
                46            47            48            49            50 
      1   0.255527D+02 -0.984161D+01  0.392094D+01 -0.131943D+02 -0.112719D+02
      2  -0.889130D+01 -0.194088D+01 -0.262999D+01 -0.674912D+00  0.331483D+02
      3  -0.166614D+02  0.117825D+02 -0.129095D+01  0.138692D+02 -0.218764D+02
      4  -0.263106D+02  0.276434D+02 -0.600629D+01  0.325851D+02 -0.532555D+02
      5   0.102317D+02 -0.669356D+01  0.136447D+02 -0.736945D+01  0.108679D+02
      6  -0.269461D+01  0.198816D+01 -0.561019D+01  0.414036D+01 -0.601124D+01
                51            52            53            54            55 
      1   0.226630D+01  0.368105D+01  0.122682D+01 -0.160179D+01  0.393570D+02
      2  -0.690239D+00 -0.193125D+01 -0.153423D+01 -0.111279D+01 -0.234817D+02
      3  -0.157606D+01 -0.174980D+01  0.307404D+00  0.271458D+01 -0.158753D+02
      4   0.867934D+01 -0.624567D+01  0.584185D+01 -0.139579D+02  0.163478D+02
      5  -0.153984D+02  0.150284D+02 -0.139378D+02  0.110353D+02 -0.136270D+02
      6   0.138839D+02 -0.652138D+01  0.121337D+02 -0.610581D+01 -0.280539D+01
                56            57            58            59            60 
      1   0.442227D+01 -0.715631D+01 -0.610844D+01  0.943523D+01  0.288919D+01
      2   0.251126D+00  0.870022D+01  0.709147D+01 -0.161900D+01 -0.772177D+00
      3  -0.467339D+01 -0.154391D+01 -0.983032D+00 -0.781623D+01 -0.211702D+01
      4   0.191713D+02 -0.509403D+01  0.176922D+02  0.666359D+01 -0.223983D+01
      5  -0.411387D+01  0.160446D+02 -0.861058D+00 -0.398676D+01  0.101800D+01
      6  -0.189249D+01  0.395831D+01 -0.602598D+00 -0.197147D+01  0.666939D+01
                61            62            63            64            65 
      1  -0.334430D+01 -0.109205D+01  0.148549D+01 -0.390325D+00 -0.226715D+00
      2   0.424671D+01  0.109908D+01 -0.108237D+02 -0.362659D+01 -0.660735D+00
      3  -0.902412D+00 -0.703531D-02  0.933819D+01  0.401692D+01  0.887450D+00
      4  -0.596003D+01 -0.532933D+01  0.667906D+01  0.809756D-01  0.903288D+00
      5   0.155958D+02  0.617258D+01 -0.172571D+02 -0.109111D+01 -0.121686D+01
      6   0.226657D+01  0.572221D+01 -0.380286D+01 -0.156494D+01 -0.534181D+00
                66            67            68            69            70 
      1   0.951149D+00 -0.284816D-01 -0.447141D+01  0.395532D+01  0.166651D+01
      2   0.109762D+01 -0.101571D+01 -0.612867D+00  0.214646D+01  0.397099D+00
      3  -0.204876D+01  0.104419D+01  0.508428D+01 -0.610178D+01 -0.206361D+01
      4  -0.657658D+00  0.280293D+01  0.507806D+00  0.104028D+00 -0.579094D+00
      5   0.472569D+01 -0.143507D+01  0.161354D-01  0.127299D+00  0.422685D+01
      6   0.143368D+00 -0.724900D+00 -0.436179D+01  0.759378D+01  0.564475D+00
                71            72            73            74            75 
      1   0.321835D+01 -0.174596D+02  0.318386D+01 -0.868783D+00  0.234966D+01
      2   0.402770D+01 -0.136779D+02 -0.461235D+01  0.632844D-01  0.577751D+00
      3  -0.724605D+01  0.311375D+02  0.142850D+01  0.805498D+00 -0.292741D+01
      4   0.852990D+00 -0.435262D+00 -0.273728D+00  0.132341D+01  0.766463D+00
      5  -0.416495D+00  0.146336D+01 -0.931327D+00  0.987871D-01  0.547936D+01
      6   0.546065D+01 -0.606889D+01 -0.184210D+00 -0.531324D+00 -0.246611D+00
                76            77            78            79            80 
      1  -0.358474D+01 -0.467667D+01  0.248886D+01  0.599631D+01  0.127998D+00
      2   0.124212D+01  0.178516D+01  0.171354D+01 -0.330208D+00  0.116443D+01
      3   0.234262D+01  0.289151D+01 -0.420240D+01 -0.566610D+01 -0.129242D+01
      4  -0.531578D+00 -0.534486D+00  0.137957D+01  0.165525D+01  0.971591D+00
      5   0.812887D-01  0.113190D+01 -0.140855D+01  0.241749D+01 -0.941960D-01
      6  -0.616436D+00 -0.599984D+00  0.415254D+01 -0.882603D+00  0.383483D+01
                81            82            83            84            85 
      1  -0.206558D+02  0.203803D+01  0.256404D+01 -0.160453D+00  0.100100D+02
      2  -0.913949D+01  0.180536D+01 -0.307941D+01  0.567136D+00 -0.916704D+01
      3   0.297953D+02 -0.384339D+01  0.515372D+00 -0.406683D+00 -0.842980D+00
      4  -0.158213D+01 -0.109252D+01  0.647414D+01  0.534871D+00  0.214607D+01
      5   0.715557D+01 -0.383931D+00  0.967555D+00  0.211941D+01  0.377193D+00
      6   0.434113D+01  0.984433D-03 -0.400909D+00 -0.542336D+00 -0.116111D+01
                86            87            88            89            90 
      1  -0.221944D+02 -0.271379D+01 -0.245936D+01  0.314915D+00 -0.464981D+01
      2   0.299368D+02  0.199423D+01  0.219658D+01 -0.100470D+01  0.246133D+01
      3  -0.774241D+01  0.719554D+00  0.262788D+00  0.689781D+00  0.218848D+01
      4   0.447390D+01 -0.341801D-01 -0.688345D-01 -0.115028D+01 -0.609907D-01
      5  -0.126132D+00  0.401803D+00  0.770394D+00  0.330347D+00  0.964870D-01
      6   0.448032D+01  0.419000D+01 -0.174283D+01  0.483531D+01  0.819382D+00
                91            92            93            94            95 
      1  -0.126767D+02  0.541909D+01  0.185879D+01  0.121569D+02 -0.836127D+01
      2   0.993441D+01 -0.233295D+01 -0.319612D+01 -0.685091D+01  0.923697D+01
      3   0.274234D+01 -0.308614D+01  0.133733D+01 -0.530596D+01 -0.875703D+00
      4   0.119601D+01 -0.308640D+01  0.150725D+01  0.400690D+01  0.133837D+02
      5   0.383334D+01  0.127114D+00 -0.376893D+01 -0.431199D+01 -0.268871D+01
      6   0.209819D+01 -0.321792D-01  0.679498D-01 -0.290957D+01 -0.443960D+01
                96            97            98            99           100 
      1  -0.391271D+00  0.204236D+01  0.219261D+01 -0.291923D+01  0.489090D+01
      2   0.556823D+00 -0.141501D+01 -0.182772D+01  0.122856D+01  0.132745D+01
      3  -0.165552D+00 -0.627349D+00 -0.364882D+00  0.169066D+01 -0.621835D+01
      4  -0.478927D+01 -0.180902D+00 -0.217665D+01  0.192600D+01 -0.122857D+02
      5   0.555504D+01  0.135403D+01  0.204099D+01 -0.176314D+01 -0.186135D+01
      6   0.370597D+01  0.371951D+00  0.353868D+01 -0.365736D+01 -0.905866D+00
               101           102           103           104           105 
      1   0.811533D+01  0.185887D+01  0.301460D+01 -0.288850D+01 -0.394157D+00
      2  -0.118679D+02 -0.515006D+00 -0.575818D+01  0.617695D+01 -0.145357D+00
      3   0.375256D+01 -0.134386D+01  0.274358D+01 -0.328845D+01  0.539514D+00
      4   0.683749D+01 -0.120170D+01  0.693752D+01 -0.672686D+01  0.226257D+00
      5   0.287228D+00 -0.327700D+00  0.643173D+00 -0.249220D+00 -0.167701D+01
      6  -0.185049D+01 -0.336934D+01 -0.101250D+01  0.725130D+00  0.254466D+01
               106           107           108           109           110 
      1  -0.196444D+00  0.238824D+00 -0.130959D+01 -0.175593D+01 -0.253384D+01
      2   0.854575D-02 -0.723357D+00  0.625925D+00  0.193833D+01  0.296247D+01
      3   0.187899D+00  0.484533D+00  0.683668D+00 -0.182400D+00 -0.428628D+00
      4  -0.183029D+01  0.135333D+00 -0.158879D+01  0.304977D+01  0.538164D+01
      5   0.190390D+01 -0.149614D+01 -0.787413D+00  0.234338D+01  0.307649D+01
      6  -0.408102D+00  0.343738D+01 -0.224283D+00  0.409529D+01  0.440056D+01
               111           112           113           114           115 
      1  -0.192696D+01 -0.251488D+01 -0.127265D+02 -0.806722D+01 -0.336364D+01
      2   0.784529D+00  0.289880D+01  0.146653D+02  0.792597D+01  0.160818D+01
      3   0.114243D+01 -0.383920D+00 -0.193881D+01  0.141251D+00  0.175546D+01
      4   0.418878D+01  0.439880D+01  0.378098D+01  0.258074D+01  0.402230D+01
      5   0.399812D+01  0.132117D+01  0.219754D+01  0.159354D+01  0.375226D+01
      6   0.625128D+01  0.334231D+01  0.145566D+02  0.134795D+02  0.631419D+01
               116           117           118           119           120 
      1  -0.124933D+02 -0.129052D+02  0.745492D+01  0.364858D+01 -0.818374D+01
      2   0.101989D+02  0.613571D+01 -0.547473D+01 -0.174015D+01  0.466524D+01
      3   0.229440D+01  0.676948D+01 -0.198018D+01 -0.190843D+01  0.351850D+01
      4   0.415519D+01  0.481064D+01  0.377750D+01  0.434096D+01 -0.204191D+01
      5   0.298200D+01  0.419867D+01 -0.730075D+01 -0.171225D+01  0.119227D+02
      6   0.179585D+02  0.183958D+02 -0.251399D+01 -0.451649D-01  0.524302D+00
               121           122           123           124           125 
      1   0.291256D+01 -0.131893D+01  0.278489D+01 -0.890472D+01  0.108396D+01
      2  -0.235246D+01  0.965854D+00 -0.899623D+00  0.790837D+01  0.182544D+01
      3  -0.560092D+00  0.353072D+00 -0.188527D+01  0.996341D+00 -0.290941D+01
      4   0.607380D+01  0.489249D+01 -0.739032D+01 -0.560620D+01 -0.106842D+02
      5  -0.270889D+01 -0.647839D+01  0.158704D+02  0.165302D+02  0.150846D+02
      6  -0.121225D+01 -0.476011D+01  0.875638D+01  0.432765D+01  0.613026D+01
               126 
      1  -0.186661D+01
      2  -0.111238D+02
      3   0.129904D+02
      4   0.162369D+02
      5  -0.442609D+02
      6  -0.121428D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 11:21:43 2021, MaxMem=  5637144576 cpu:            6031.9 elap:             760.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -89.44148 -19.50892 -19.45743 -14.64274 -10.58403
 Alpha  occ. eigenvalues --  -10.51304 -10.50116  -8.12763  -6.12832  -6.12527
 Alpha  occ. eigenvalues --   -6.11999  -1.24161  -1.15071  -1.06461  -0.94901
 Alpha  occ. eigenvalues --   -0.86481  -0.77006  -0.73523  -0.67238  -0.65967
 Alpha  occ. eigenvalues --   -0.62596  -0.59037  -0.57391  -0.55425  -0.52861
 Alpha  occ. eigenvalues --   -0.52255  -0.49394  -0.46221  -0.44087  -0.42442
 Alpha  occ. eigenvalues --   -0.38689  -0.37018
 Alpha virt. eigenvalues --    0.02597   0.03069   0.03938   0.04835   0.05766
 Alpha virt. eigenvalues --    0.07637   0.08056   0.08695   0.10263   0.11498
 Alpha virt. eigenvalues --    0.12776   0.13507   0.13974   0.14859   0.14979
 Alpha virt. eigenvalues --    0.16274   0.18152   0.18926   0.19331   0.20383
 Alpha virt. eigenvalues --    0.21425   0.22703   0.23542   0.24145   0.25282
 Alpha virt. eigenvalues --    0.26056   0.26899   0.28173   0.28740   0.29513
 Alpha virt. eigenvalues --    0.30849   0.32084   0.32354   0.33841   0.34574
 Alpha virt. eigenvalues --    0.34769   0.36794   0.37212   0.38078   0.38659
 Alpha virt. eigenvalues --    0.39146   0.39396   0.39928   0.40886   0.41297
 Alpha virt. eigenvalues --    0.41924   0.43452   0.43866   0.45743   0.46058
 Alpha virt. eigenvalues --    0.46934   0.47505   0.47915   0.48446   0.50389
 Alpha virt. eigenvalues --    0.51638   0.51798   0.52635   0.53352   0.54540
 Alpha virt. eigenvalues --    0.55209   0.55441   0.56835   0.57541   0.59526
 Alpha virt. eigenvalues --    0.60036   0.60873   0.61985   0.63336   0.64180
 Alpha virt. eigenvalues --    0.65252   0.67593   0.68256   0.70052   0.70495
 Alpha virt. eigenvalues --    0.74471   0.74574   0.76418   0.79194   0.79816
 Alpha virt. eigenvalues --    0.80395   0.81530   0.82491   0.84012   0.85146
 Alpha virt. eigenvalues --    0.86847   0.88361   0.90062   0.94084   0.94569
 Alpha virt. eigenvalues --    0.96996   0.99131   1.01557   1.03589   1.04316
 Alpha virt. eigenvalues --    1.05218   1.07575   1.09788   1.11441   1.12011
 Alpha virt. eigenvalues --    1.13097   1.14288   1.16048   1.18516   1.21156
 Alpha virt. eigenvalues --    1.23803   1.24918   1.25778   1.29472   1.33647
 Alpha virt. eigenvalues --    1.35296   1.37187   1.40095   1.41852   1.45786
 Alpha virt. eigenvalues --    1.52553   1.54238   1.56942   1.60713   1.67512
 Alpha virt. eigenvalues --    1.68579   1.70546   1.73727   1.76684   1.79015
 Alpha virt. eigenvalues --    1.80793   1.82695   1.84110   1.85978   1.88453
 Alpha virt. eigenvalues --    1.89413   1.92607   1.94398   1.97956   2.01874
 Alpha virt. eigenvalues --    2.03372   2.04867   2.08708   2.10482   2.11859
 Alpha virt. eigenvalues --    2.15121   2.17430   2.18186   2.20823   2.22354
 Alpha virt. eigenvalues --    2.25520   2.28099   2.31738   2.34186   2.36475
 Alpha virt. eigenvalues --    2.38594   2.39759   2.45038   2.48030   2.56413
 Alpha virt. eigenvalues --    2.57023   2.60355   2.69297   2.81390   2.89593
 Alpha virt. eigenvalues --    2.91535   2.96674   2.96987   3.03475   3.05513
 Alpha virt. eigenvalues --    3.08753   3.13339   3.18025   3.21665   3.25125
 Alpha virt. eigenvalues --    3.34853   3.42899   3.51893   3.61143   3.67746
 Alpha virt. eigenvalues --    3.88595   4.00239
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.773006   0.293291   0.246491  -0.052727  -0.059084  -0.024000
     2  S    0.293291  15.813729  -0.207847  -0.015318   0.051874  -0.001075
     3  C    0.246491  -0.207847   6.231133  -0.014733  -0.455369   0.009660
     4  N   -0.052727  -0.015318  -0.014733   7.264703  -0.072068   0.018431
     5  C   -0.059084   0.051874  -0.455369  -0.072068   5.817704   0.387160
     6  O   -0.024000  -0.001075   0.009660   0.018431   0.387160   7.851831
     7  O   -0.008477  -0.005705  -0.026058  -0.044617   0.232187   0.024038
     8  H    0.031339  -0.005422   0.200540  -0.085279   0.006068  -0.018638
     9  H    0.375592  -0.056099   0.111089  -0.044287  -0.026907   0.000228
    10  H    0.318477   0.022659  -0.032299   0.019591   0.019328  -0.008994
    11  H   -0.004432  -0.000469  -0.074128  -0.029931   0.111291  -0.019296
    12  H   -0.047510   0.025199   0.032804   0.022624   0.008859  -0.001711
    13  H    0.022036   0.002396   0.139587   0.123947   0.020511  -0.005245
    14  H    0.009135   0.316302   0.006918  -0.001203  -0.000731   0.000365
               7          8          9         10         11         12
     1  C   -0.008477   0.031339   0.375592   0.318477  -0.004432  -0.047510
     2  S   -0.005705  -0.005422  -0.056099   0.022659  -0.000469   0.025199
     3  C   -0.026058   0.200540   0.111089  -0.032299  -0.074128   0.032804
     4  N   -0.044617  -0.085279  -0.044287   0.019591  -0.029931   0.022624
     5  C    0.232187   0.006068  -0.026907   0.019328   0.111291   0.008859
     6  O    0.024038  -0.018638   0.000228  -0.008994  -0.019296  -0.001711
     7  O    7.832202  -0.015075   0.001306  -0.005075   0.224741   0.004478
     8  H   -0.015075   0.947428   0.011724  -0.007722   0.026099   0.091521
     9  H    0.001306   0.011724   0.566680  -0.018725   0.000899   0.001614
    10  H   -0.005075  -0.007722  -0.018725   0.622145   0.001282   0.000660
    11  H    0.224741   0.026099   0.000899   0.001282   0.475370   0.019711
    12  H    0.004478   0.091521   0.001614   0.000660   0.019711   0.870122
    13  H   -0.000182  -0.076291   0.002344  -0.002920  -0.032769  -0.144828
    14  H    0.000327  -0.009180   0.002861  -0.008268  -0.000311  -0.004734
              13         14
     1  C    0.022036   0.009135
     2  S    0.002396   0.316302
     3  C    0.139587   0.006918
     4  N    0.123947  -0.001203
     5  C    0.020511  -0.000731
     6  O   -0.005245   0.000365
     7  O   -0.000182   0.000327
     8  H   -0.076291  -0.009180
     9  H    0.002344   0.002861
    10  H   -0.002920  -0.008268
    11  H   -0.032769  -0.000311
    12  H   -0.144828  -0.004734
    13  H    0.837210   0.001740
    14  H    0.001740   0.445559
 Mulliken charges:
               1
     1  C    0.126863
     2  S   -0.233516
     3  C   -0.167789
     4  N   -0.089135
     5  C   -0.040824
     6  O   -0.212755
     7  O   -0.214090
     8  H   -0.097112
     9  H    0.071682
    10  H    0.079861
    11  H    0.301943
    12  H    0.121190
    13  H    0.112463
    14  H    0.241218
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.278406
     2  S    0.007702
     3  C   -0.264901
     4  N    0.144519
     5  C   -0.040824
     6  O   -0.212755
     7  O    0.087853
 Electronic spatial extent (au):  <R**2>=           1108.8919
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.0072    Y=              2.6366    Z=              1.3997  Tot=              4.2372
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -63.0462   YY=            -50.2675   ZZ=            -46.4555
   XY=              5.7607   XZ=             -1.6427   YZ=              2.3161
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -9.7898   YY=              2.9889   ZZ=              6.8009
   XY=              5.7607   XZ=             -1.6427   YZ=              2.3161
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -8.8885  YYY=             14.4789  ZZZ=              2.4841  XYY=             -1.9202
  XXY=             12.5484  XXZ=             10.8028  XZZ=              0.4698  YZZ=              3.3259
  YYZ=              2.4220  XYZ=              6.2681
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1123.9140 YYYY=           -273.5261 ZZZZ=           -112.0412 XXXY=             15.3753
 XXXZ=            -22.7281 YYYX=             13.6294 YYYZ=             12.4531 ZZZX=             -3.2410
 ZZZY=              0.8606 XXYY=           -238.3690 XXZZ=           -188.8101 YYZZ=            -61.2724
 XXYZ=             -4.0962 YYXZ=             -7.4819 ZZXY=              5.4071
 N-N= 3.760605128178D+02 E-N=-2.452524248158D+03  KE= 7.165903519433D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 11:21:44 2021, MaxMem=  5637144576 cpu:               4.9 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.15728074D+00 1.02435809D+00 5.10759384D-01
 Polarizability= 8.39122357D+01-1.22661263D+00 6.70540663D+01
                -2.45923502D+00-2.72873624D+00 5.72487413D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.2163    1.2225       -0.4384   -0.4484
 2     -1.2163   -1.2225        1.1386    1.1388       -7.7634   -7.7900
 3      0.4384    0.4484       13.0958   13.1212       -1.1401   -1.1388
 4     -1.1386   -1.1388        0.0000    0.0000        0.4457    0.4484
 5     -5.3324   -5.3312       -0.4457   -0.4484        1.2183    1.2225
 6      1.1401    1.1388       -1.2183   -1.2225        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -3.6676   -3.6676       -1.3452   -1.3452
 2     -3.4163   -3.4163       -0.0000    0.0000       -1.3452   -1.3452
 3     -3.4163   -3.4163       -3.6676   -3.6676       -0.0000    0.0000
 4     -3.6676   -3.6676        3.4163    3.4163      -23.3701  -23.3701
 5      1.3452    1.3452       39.3636   39.3636       -3.4163   -3.4163
 6    -15.9935  -15.9935       -1.3452   -1.3452        3.6676    3.6676
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2379    0.0000       -5.0806   -4.8901        1.9548    1.7936
 2      4.9945    4.8901       -4.5554   -4.5551       32.5197   31.1601
 3     -2.0563   -1.7936      -51.7972  -52.4848        5.0407    4.5551
 4      4.3694    4.5551        0.1552    0.0000       -1.8820   -1.7936
 5     21.2703   21.3247        1.4968    1.7936       -4.5780   -4.8901
 6     -4.6370   -4.5551        4.7709    4.8901        0.2632    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0868    0.0000        6.7165    6.5713       -2.2425   -2.3963
 2     -6.1514   -6.5713      -15.6984  -14.3684       22.8252   22.7908
 3      2.2584    2.3963        6.2891    6.0665       16.3551   14.3684
 4     14.6535   14.3684        1.0409    0.0000        2.0800    2.3963
 5    -29.1019  -28.8574       -1.0012   -2.3963        5.8320    6.5713
 6    -14.7847  -14.3684       -8.0154   -6.5713        0.0065    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     13.6532   13.6140       21.3953   22.1809      -16.7328  -16.1655
 2     33.7394   33.3635       21.3985   20.1175      -16.3347  -16.1655
 3     33.8135   33.3635       23.1068   22.1809      -18.7651  -18.0850
 4      2.3322    2.0633      -20.7566  -19.7496       22.5423   22.4365
 5     -1.4907   -1.9195       30.8884   30.2083       21.1406   19.7496
 6    -53.1650  -52.6448        3.7643    1.9195       -4.7504   -2.0633
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.8885    0.0028    0.0030    0.0033    0.9683    4.2559
 Low frequencies ---   76.2789  110.7458  172.8113
 Diagonal vibrational polarizability:
       26.4147812      25.2900046      19.2838414
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     76.2785               110.7458               172.8113
 Red. masses --      6.9221                 2.6423                 6.4931
 Frc consts  --      0.0237                 0.0191                 0.1142
 IR Inten    --      2.6000                 6.3928                 9.4712
 RamAct Fr= 1--      1.0166                 0.6390                 0.4854
  Dep-P Fr= 1--      0.7435                 0.7096                 0.7473
  Dep-U Fr= 1--      0.8529                 0.8301                 0.8554
 Alpha2 Fr= 1--      0.0001                 0.0004                 0.0000
 Beta2  Fr= 1--      0.1445                 0.0884                 0.0692
 AlphaG Fr= 1--      0.0014                -0.0020                -0.0001
 Gamma2 Fr= 1--      0.5962                 0.3448                -0.2287
 Delta2 Fr= 1--      0.2551                 0.0817                -0.0767
 Raman1 Fr= 1--       4.066                  2.556                  1.942
 ROA1   Fr= 1--      65.399                 35.714                -24.411
 CID1   Fr= 1--      16.083                 13.973                -12.572
 Raman2 Fr= 1--       1.734                  1.061                  0.830
 ROA2   Fr= 1--      12.267                  7.621                 -4.875
 CID2   Fr= 1--       7.074                  7.184                 -5.870
 Raman3 Fr= 1--       3.468                  2.122                  1.661
 ROA3   Fr= 1--      65.399                 35.714                -24.411
 CID3   Fr= 1--      18.856                 16.833                -14.698
 RC180  Fr= 1--       0.706                  0.660                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.03  -0.05    -0.00  -0.18   0.20    -0.13  -0.09  -0.21
     2  16    -0.03  -0.10   0.12     0.02   0.07  -0.06    -0.06   0.14   0.10
     3   6    -0.01   0.10  -0.13     0.02  -0.03   0.06    -0.05  -0.21  -0.20
     4   7     0.03   0.09  -0.24    -0.06  -0.05  -0.04    -0.10  -0.20  -0.12
     5   6    -0.01   0.01  -0.02     0.02   0.01  -0.02     0.07  -0.03  -0.02
     6   8    -0.21  -0.12  -0.17     0.03  -0.02  -0.13     0.25   0.08   0.13
     7   8     0.26   0.09   0.32    -0.01   0.08   0.06     0.07   0.10   0.13
     8   1    -0.04   0.21  -0.10     0.11   0.05   0.10    -0.09  -0.27  -0.22
     9   1    -0.13   0.04  -0.06     0.08  -0.47   0.13    -0.23  -0.00  -0.20
    10   1     0.07   0.04  -0.05    -0.10  -0.16   0.49    -0.25  -0.12  -0.31
    11   1     0.30   0.12   0.26    -0.06   0.06   0.10    -0.06  -0.01   0.02
    12   1     0.07   0.09  -0.46    -0.06  -0.12  -0.15    -0.12  -0.23  -0.02
    13   1    -0.16   0.14  -0.20    -0.16   0.03  -0.05    -0.05  -0.24  -0.11
    14   1     0.16  -0.03   0.16    -0.13   0.48   0.09     0.14   0.19   0.13
                      4                      5                      6
                      A                      A                      A
 Frequencies --    248.9407               271.4012               332.6766
 Red. masses --      1.9060                 2.0089                 2.9271
 Frc consts  --      0.0696                 0.0872                 0.1909
 IR Inten    --      4.2024                 8.5202                25.5634
 RamAct Fr= 1--      2.7400                 1.0197                 0.7869
  Dep-P Fr= 1--      0.2121                 0.2371                 0.3266
  Dep-U Fr= 1--      0.3499                 0.3833                 0.4924
 Alpha2 Fr= 1--      0.0360                 0.0125                 0.0074
 Beta2  Fr= 1--      0.1598                 0.0651                 0.0646
 AlphaG Fr= 1--      0.0282                -0.0161                -0.0162
 Gamma2 Fr= 1--      0.2078                -0.2069                 0.2216
 Delta2 Fr= 1--     -0.0725                 0.2222                 0.2195
 Raman1 Fr= 1--      10.960                  4.079                  3.147
 ROA1   Fr= 1--      17.623                -12.755                 28.295
 CID1   Fr= 1--       1.608                 -3.127                  8.990
 Raman2 Fr= 1--       1.917                  0.782                  0.775
 ROA2   Fr= 1--       5.566                 -6.744                  3.561
 CID2   Fr= 1--       2.903                 -8.628                  4.595
 Raman3 Fr= 1--       3.835                  1.563                  1.550
 ROA3   Fr= 1--      17.623                -12.755                 28.295
 CID3   Fr= 1--       4.595                 -8.160                 18.257
 RC180  Fr= 1--      -0.300                 -0.233                 -0.015
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.01  -0.09    -0.05   0.04   0.01    -0.02  -0.05   0.02
     2  16     0.11   0.00   0.02    -0.12  -0.06  -0.04    -0.02   0.00  -0.01
     3   6    -0.03  -0.00  -0.02     0.01   0.01  -0.02     0.02   0.03  -0.06
     4   7    -0.09  -0.01   0.03     0.11   0.03   0.07    -0.18   0.01   0.11
     5   6    -0.05   0.01   0.01     0.04  -0.01  -0.02     0.02   0.06  -0.07
     6   8    -0.09  -0.01   0.02     0.07   0.01   0.01    -0.09   0.05   0.03
     7   8    -0.06  -0.02  -0.02     0.04  -0.01  -0.01     0.24  -0.06  -0.06
     8   1    -0.08  -0.06  -0.04     0.04  -0.01  -0.02     0.14  -0.10  -0.08
     9   1     0.05   0.06  -0.08    -0.08   0.02   0.00    -0.05  -0.19  -0.02
    10   1     0.10  -0.00  -0.14    -0.01   0.04   0.02    -0.03  -0.04   0.17
    11   1    -0.03   0.01   0.03     0.07   0.02   0.04     0.38  -0.01  -0.32
    12   1    -0.08  -0.07  -0.13     0.16   0.11  -0.10    -0.29  -0.08   0.62
    13   1    -0.26  -0.02   0.10     0.01  -0.04   0.15     0.19  -0.05   0.01
    14   1     0.45   0.70   0.32     0.15   0.85   0.34    -0.04   0.08   0.02
                      7                      8                      9
                      A                      A                      A
 Frequencies --    352.1829               409.7320               550.5299
 Red. masses --      1.2327                 2.8004                 4.0976
 Frc consts  --      0.0901                 0.2770                 0.7317
 IR Inten    --     16.0324                 5.7726                 2.4947
 RamAct Fr= 1--      0.5344                 1.4686                 1.7089
  Dep-P Fr= 1--      0.2390                 0.2785                 0.5548
  Dep-U Fr= 1--      0.3858                 0.4357                 0.7137
 Alpha2 Fr= 1--      0.0065                 0.0160                 0.0064
 Beta2  Fr= 1--      0.0344                 0.1066                 0.2033
 AlphaG Fr= 1--      0.0242                -0.0137                 0.0010
 Gamma2 Fr= 1--     -0.1302                -0.4081                 0.3939
 Delta2 Fr= 1--      0.0497                -0.0158                 0.1403
 Raman1 Fr= 1--       2.137                  5.875                  6.836
 ROA1   Fr= 1--     -10.905                -39.689                 42.302
 CID1   Fr= 1--      -5.102                 -6.756                  6.188
 Raman2 Fr= 1--       0.412                  1.280                  2.439
 ROA2   Fr= 1--      -3.522                 -9.669                  8.330
 CID2   Fr= 1--      -8.543                 -7.556                  3.415
 Raman3 Fr= 1--       0.825                  2.559                  4.879
 ROA3   Fr= 1--     -10.905                -39.689                 42.302
 CID3   Fr= 1--     -13.225                -15.508                  8.671
 RC180  Fr= 1--      -0.228                 -0.129                  0.427
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01  -0.01    -0.05  -0.16  -0.04    -0.05  -0.05  -0.07
     2  16     0.02  -0.02  -0.01     0.04   0.00   0.01     0.04  -0.00   0.01
     3   6    -0.02  -0.01  -0.00    -0.03  -0.03  -0.15    -0.14   0.13  -0.11
     4   7     0.05  -0.02  -0.05     0.18   0.03   0.09    -0.08   0.25   0.05
     5   6    -0.04   0.00   0.01    -0.06   0.05  -0.07    -0.03  -0.10   0.07
     6   8    -0.03   0.00  -0.01    -0.12   0.07   0.08     0.23  -0.05  -0.09
     7   8    -0.05   0.04   0.05    -0.02   0.06  -0.02    -0.05  -0.13   0.07
     8   1    -0.04  -0.01   0.00    -0.03  -0.07  -0.16    -0.33   0.16  -0.13
     9   1     0.01  -0.02  -0.01    -0.07  -0.51  -0.13    -0.04  -0.47  -0.17
    10   1     0.01  -0.01   0.02    -0.08  -0.14   0.29    -0.04  -0.02   0.36
    11   1    -0.15  -0.04  -0.11     0.01   0.11   0.15     0.05  -0.08   0.02
    12   1    -0.02   0.10   0.56     0.28   0.23  -0.16    -0.10   0.29   0.25
    13   1     0.69  -0.01  -0.29    -0.03  -0.25   0.34     0.03   0.05   0.14
    14   1     0.10   0.20   0.08    -0.02  -0.23  -0.08     0.16  -0.10  -0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    655.9487               659.1046               775.6721
 Red. masses --      4.5661                 5.2890                 2.2402
 Frc consts  --      1.1575                 1.3537                 0.7941
 IR Inten    --     10.9938                 7.3955                14.9029
 RamAct Fr= 1--      1.8545                14.2967                 2.1084
  Dep-P Fr= 1--      0.2503                 0.1871                 0.3567
  Dep-U Fr= 1--      0.4004                 0.3152                 0.5258
 Alpha2 Fr= 1--      0.0220                 0.2009                 0.0181
 Beta2  Fr= 1--      0.1237                 0.7510                 0.1848
 AlphaG Fr= 1--     -0.0072                 0.1264                 0.0228
 Gamma2 Fr= 1--     -0.6745                 1.6943                -1.7478
 Delta2 Fr= 1--     -0.0238                 0.4535                -0.4523
 Raman1 Fr= 1--       7.418                 57.187                  8.434
 ROA1   Fr= 1--     -65.512                177.160               -182.260
 CID1   Fr= 1--      -8.832                  3.098                -21.611
 Raman2 Fr= 1--       1.485                  9.012                  2.217
 ROA2   Fr= 1--     -15.997                 37.034                -38.329
 CID2   Fr= 1--     -10.772                  4.109                -17.286
 Raman3 Fr= 1--       2.970                 18.024                  4.435
 ROA3   Fr= 1--     -65.512                177.160               -182.260
 CID3   Fr= 1--     -22.058                  9.829                -41.098
 RC180  Fr= 1--      -0.199                 -0.370                  0.052
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10  -0.06  -0.01     0.26  -0.16  -0.22     0.14   0.10  -0.01
     2  16     0.04  -0.00  -0.00    -0.16   0.04   0.04    -0.05   0.01   0.00
     3   6    -0.22  -0.06   0.17     0.08   0.01   0.06    -0.00   0.02   0.03
     4   7     0.09  -0.11  -0.02     0.02   0.00  -0.00     0.00  -0.08   0.01
     5   6    -0.13   0.17   0.15     0.16   0.14   0.28    -0.15  -0.05  -0.15
     6   8     0.04   0.19  -0.16    -0.07  -0.05  -0.07     0.03   0.08   0.00
     7   8     0.11  -0.15  -0.02    -0.02   0.00  -0.09    -0.00  -0.05   0.08
     8   1    -0.36  -0.03   0.16    -0.25  -0.02  -0.00     0.10  -0.06   0.02
     9   1    -0.01   0.18   0.06     0.38  -0.42  -0.26     0.41  -0.28  -0.05
    10   1    -0.05  -0.08  -0.22     0.08  -0.15   0.15    -0.02   0.12   0.41
    11   1     0.46   0.06  -0.21     0.00   0.03   0.03     0.03  -0.05  -0.12
    12   1     0.23   0.22  -0.30    -0.01  -0.07   0.06     0.04  -0.08  -0.14
    13   1     0.11  -0.05  -0.07     0.03   0.04  -0.03     0.00   0.06  -0.08
    14   1     0.01   0.01   0.00     0.38  -0.12  -0.00     0.59  -0.19  -0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    801.1477               855.5672               862.5294
 Red. masses --      2.2970                 2.0354                 1.2702
 Frc consts  --      0.8686                 0.8778                 0.5567
 IR Inten    --      1.4021                28.6318                55.7951
 RamAct Fr= 1--      5.3641                 8.6401                 2.4467
  Dep-P Fr= 1--      0.2968                 0.0653                 0.2639
  Dep-U Fr= 1--      0.4578                 0.1226                 0.4176
 Alpha2 Fr= 1--      0.0555                 0.1645                 0.0279
 Beta2  Fr= 1--      0.4093                 0.1766                 0.1703
 AlphaG Fr= 1--      0.0226                -0.1150                 0.0937
 Gamma2 Fr= 1--     -1.0921                 0.7050                 0.3209
 Delta2 Fr= 1--     -0.3156                 0.1397                 0.3197
 Raman1 Fr= 1--      21.456                 34.561                  9.787
 ROA1   Fr= 1--    -114.944                 72.153                 41.037
 CID1   Fr= 1--      -5.357                  2.088                  4.193
 Raman2 Fr= 1--       4.911                  2.119                  2.043
 ROA2   Fr= 1--     -23.687                 15.803                  5.144
 CID2   Fr= 1--      -4.823                  7.459                  2.517
 Raman3 Fr= 1--       9.823                  4.238                  4.087
 ROA3   Fr= 1--    -114.944                 72.153                 41.037
 CID3   Fr= 1--     -11.702                 17.027                 10.041
 RC180  Fr= 1--      -0.084                 -0.755                 -0.165
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.18  -0.15  -0.00    -0.03   0.11   0.04    -0.00  -0.02   0.00
     2  16    -0.04   0.02   0.02     0.01  -0.02  -0.00    -0.01   0.00  -0.00
     3   6     0.04  -0.01  -0.02     0.12  -0.00  -0.11    -0.06  -0.02   0.06
     4   7     0.02   0.08  -0.02     0.03  -0.05  -0.06    -0.02   0.02  -0.03
     5   6    -0.12  -0.02  -0.09    -0.03   0.07   0.10     0.00  -0.04  -0.06
     6   8     0.02   0.07  -0.01    -0.01   0.06  -0.04     0.01  -0.02   0.04
     7   8    -0.04  -0.07   0.07    -0.08  -0.09   0.02     0.02   0.02  -0.06
     8   1     0.17   0.07   0.02     0.05  -0.01  -0.12    -0.03   0.06   0.09
     9   1    -0.00   0.35   0.09    -0.11  -0.12  -0.04     0.14   0.06   0.05
    10   1     0.38  -0.17  -0.43    -0.11   0.12   0.22    -0.04  -0.04  -0.05
    11   1     0.13   0.04   0.06     0.32   0.22   0.42     0.36   0.35   0.77
    12   1    -0.06  -0.04   0.17    -0.15  -0.40   0.37    -0.02   0.11   0.12
    13   1    -0.08  -0.09   0.13    -0.17  -0.28   0.17     0.13   0.01  -0.08
    14   1    -0.50   0.15   0.04    -0.10   0.04   0.01     0.22  -0.05  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    902.8570               951.4204              1026.8728
 Red. masses --      1.7074                 1.7138                 1.7152
 Frc consts  --      0.8200                 0.9140                 1.0656
 IR Inten    --     50.3150                64.7873                50.6663
 RamAct Fr= 1--      5.0484                 1.0951                 7.1158
  Dep-P Fr= 1--      0.6414                 0.7482                 0.2189
  Dep-U Fr= 1--      0.7815                 0.8560                 0.3591
 Alpha2 Fr= 1--      0.0099                 0.0000                 0.0919
 Beta2  Fr= 1--      0.6576                 0.1562                 0.4259
 AlphaG Fr= 1--      0.0131                 0.0001                 0.0033
 Gamma2 Fr= 1--      0.1782                 0.7192                 1.3136
 Delta2 Fr= 1--     -0.0165                -0.0099                 0.3566
 Raman1 Fr= 1--      20.194                  4.380                 28.463
 ROA1   Fr= 1--      16.581                 68.722                137.517
 CID1   Fr= 1--       0.821                 15.689                  4.831
 Raman2 Fr= 1--       7.891                  1.875                  5.111
 ROA2   Fr= 1--       4.409                 17.339                 28.673
 CID2   Fr= 1--       0.559                  9.249                  5.610
 Raman3 Fr= 1--      15.782                  3.749                 10.222
 ROA3   Fr= 1--      16.581                 68.722                137.517
 CID3   Fr= 1--       1.051                 18.329                 13.453
 RC180  Fr= 1--       0.563                  0.712                 -0.282
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12  -0.08  -0.02    -0.08  -0.05  -0.08     0.00  -0.04   0.14
     2  16    -0.00   0.00  -0.02     0.01  -0.00  -0.00    -0.02   0.02  -0.02
     3   6     0.09  -0.05   0.09     0.16   0.03   0.02    -0.00   0.01  -0.15
     4   7     0.05   0.11  -0.05    -0.04  -0.00   0.08    -0.05  -0.03   0.03
     5   6    -0.02   0.00  -0.01    -0.01   0.03  -0.01     0.06   0.05   0.05
     6   8    -0.01   0.02   0.00    -0.00   0.04  -0.01    -0.01   0.01  -0.02
     7   8     0.00   0.00   0.02    -0.05  -0.06   0.04    -0.04  -0.05   0.02
     8   1     0.22   0.09   0.15     0.29  -0.15  -0.02     0.27   0.14  -0.06
     9   1     0.08   0.08   0.06    -0.18  -0.09  -0.11     0.03   0.30   0.23
    10   1    -0.29  -0.12  -0.22    -0.11  -0.05  -0.07     0.12  -0.06  -0.22
    11   1    -0.05  -0.06  -0.21     0.08   0.05   0.24    -0.06  -0.05   0.04
    12   1    -0.13  -0.29   0.27     0.07   0.09  -0.33     0.11   0.38  -0.16
    13   1    -0.27  -0.01   0.17     0.27   0.57  -0.41     0.19  -0.20   0.03
    14   1     0.59  -0.14  -0.04    -0.06   0.00  -0.00     0.57  -0.17  -0.06
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1105.7082              1177.1561              1214.3795
 Red. masses --      2.7591                 1.2987                 2.2243
 Frc consts  --      1.9874                 1.0603                 1.9327
 IR Inten    --     15.6935                12.4494                12.9120
 RamAct Fr= 1--      2.3773                 1.8890                 4.9040
  Dep-P Fr= 1--      0.7439                 0.6958                 0.6256
  Dep-U Fr= 1--      0.8531                 0.8206                 0.7697
 Alpha2 Fr= 1--      0.0002                 0.0018                 0.0111
 Beta2  Fr= 1--      0.3380                 0.2584                 0.6291
 AlphaG Fr= 1--     -0.0008                 0.0051                -0.0278
 Gamma2 Fr= 1--     -0.4103                -2.3047                 2.7714
 Delta2 Fr= 1--      0.0342                -1.5249                 1.1502
 Raman1 Fr= 1--       9.509                  7.556                 19.616
 ROA1   Fr= 1--     -38.297               -270.044                302.860
 CID1   Fr= 1--      -4.027                -35.739                 15.439
 Raman2 Fr= 1--       4.056                  3.100                  7.549
 ROA2   Fr= 1--     -10.122                -43.113                 57.312
 CID2   Fr= 1--      -2.495                -13.906                  7.592
 Raman3 Fr= 1--       8.113                  6.200                 15.098
 ROA3   Fr= 1--     -38.297               -270.044                302.860
 CID3   Fr= 1--      -4.721                -43.552                 20.060
 RC180  Fr= 1--       0.706                  0.641                  0.539
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.10  -0.04     0.01  -0.01   0.08    -0.03  -0.00  -0.02
     2  16    -0.00   0.01  -0.01    -0.01   0.01  -0.01    -0.00   0.01  -0.01
     3   6     0.02   0.30   0.02    -0.00  -0.07  -0.04    -0.08   0.00   0.08
     4   7     0.05  -0.17   0.04     0.03   0.05   0.01     0.02   0.00  -0.03
     5   6    -0.06  -0.05   0.00    -0.06  -0.02   0.04     0.20   0.08  -0.14
     6   8     0.03  -0.04   0.01     0.01  -0.01   0.00    -0.04   0.06  -0.01
     7   8     0.01   0.04  -0.02     0.01   0.03  -0.03    -0.02  -0.10   0.06
     8   1    -0.12   0.53   0.08    -0.30  -0.42  -0.20    -0.07  -0.14   0.04
     9   1    -0.29   0.06  -0.04    -0.30   0.06   0.05    -0.32  -0.09  -0.09
    10   1     0.46  -0.03  -0.09     0.46   0.04   0.04     0.54   0.08   0.13
    11   1     0.07   0.07  -0.03     0.12   0.09  -0.05    -0.41  -0.30   0.33
    12   1    -0.03  -0.40   0.10    -0.05  -0.28  -0.01    -0.06  -0.11   0.16
    13   1    -0.05  -0.08   0.01    -0.05   0.38  -0.16    -0.10  -0.01   0.04
    14   1     0.21  -0.07  -0.03     0.27  -0.09  -0.03     0.11  -0.04  -0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1276.1510              1298.6841              1339.4352
 Red. masses --      1.2165                 1.2574                 1.5244
 Frc consts  --      1.1672                 1.2495                 1.6114
 IR Inten    --     10.5564                 5.2452                 4.4470
 RamAct Fr= 1--      1.4619                 5.8720                 3.7959
  Dep-P Fr= 1--      0.7449                 0.3613                 0.2809
  Dep-U Fr= 1--      0.8538                 0.5309                 0.4386
 Alpha2 Fr= 1--      0.0001                 0.0497                 0.0412
 Beta2  Fr= 1--      0.2080                 0.5195                 0.2775
 AlphaG Fr= 1--      0.0004                 0.0516                 0.0217
 Gamma2 Fr= 1--     -0.2967                -2.9233                -0.3464
 Delta2 Fr= 1--      0.7178                -0.7178                -0.5424
 Raman1 Fr= 1--       5.848                 23.488                 15.184
 ROA1   Fr= 1--      -5.517               -303.603                -50.609
 CID1   Fr= 1--      -0.943                -12.926                 -3.333
 Raman2 Fr= 1--       2.496                  6.234                  3.330
 ROA2   Fr= 1--     -12.865                -64.416                 -3.975
 CID2   Fr= 1--      -5.154                -10.332                 -1.194
 Raman3 Fr= 1--       4.993                 12.469                  6.659
 ROA3   Fr= 1--      -5.517               -303.603                -50.609
 CID3   Fr= 1--      -1.105                -24.349                 -7.600
 RC180  Fr= 1--       0.708                  0.062                 -0.123
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.01  -0.05    -0.04  -0.02   0.02     0.09  -0.01   0.01
     2  16     0.00   0.00   0.01     0.00  -0.00   0.01     0.00  -0.00  -0.00
     3   6    -0.05  -0.02  -0.00    -0.05   0.01  -0.09    -0.16   0.09  -0.02
     4   7     0.01   0.01  -0.02     0.04  -0.00   0.05     0.05  -0.01   0.00
     5   6    -0.03   0.01   0.06     0.04   0.01  -0.01     0.02   0.01   0.03
     6   8     0.01  -0.03   0.00    -0.01   0.02  -0.01     0.01  -0.02  -0.00
     7   8     0.00   0.02  -0.01     0.00  -0.02   0.00    -0.00   0.00  -0.00
     8   1     0.66  -0.12   0.08    -0.19   0.18  -0.07     0.60  -0.34  -0.03
     9   1     0.37  -0.05   0.01     0.66   0.16   0.18    -0.32   0.05  -0.04
    10   1     0.57   0.11   0.17    -0.11  -0.04  -0.05    -0.47  -0.09  -0.06
    11   1     0.06   0.05  -0.05    -0.14  -0.09   0.11    -0.02  -0.01   0.04
    12   1     0.00   0.03   0.02    -0.07  -0.41   0.04    -0.04  -0.27   0.08
    13   1    -0.04  -0.01   0.02    -0.03   0.38  -0.15    -0.09   0.19  -0.06
    14   1    -0.10   0.02   0.01    -0.12   0.04   0.02     0.03  -0.01  -0.00
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1372.5524              1408.4717              1467.8180
 Red. masses --      1.3481                 1.5633                 1.0844
 Frc consts  --      1.4963                 1.8272                 1.3766
 IR Inten    --     29.5188               403.3369                 6.4849
 RamAct Fr= 1--      3.1073                 3.2311                 6.3603
  Dep-P Fr= 1--      0.5555                 0.2509                 0.6410
  Dep-U Fr= 1--      0.7143                 0.4011                 0.7812
 Alpha2 Fr= 1--      0.0115                 0.0382                 0.0125
 Beta2  Fr= 1--      0.3699                 0.2160                 0.8282
 AlphaG Fr= 1--     -0.0452                 0.0032                 0.0074
 Gamma2 Fr= 1--      0.1062                -0.2916                 0.0439
 Delta2 Fr= 1--     -0.5179                -0.1845                -0.2927
 Raman1 Fr= 1--      12.429                 12.925                 25.441
 ROA1   Fr= 1--      -6.375                -33.902                 -5.155
 CID1   Fr= 1--      -0.513                 -2.623                 -0.203
 Raman2 Fr= 1--       4.439                  2.592                  9.938
 ROA2   Fr= 1--       6.693                 -5.523                  3.395
 CID2   Fr= 1--       1.508                 -2.131                  0.342
 Raman3 Fr= 1--       8.878                  5.184                 19.876
 ROA3   Fr= 1--      -6.375                -33.902                 -5.155
 CID3   Fr= 1--      -0.718                 -6.540                 -0.259
 RC180  Fr= 1--       0.429                 -0.198                  0.562
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.04  -0.01     0.00   0.00  -0.01     0.01  -0.05  -0.06
     2  16    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.04  -0.13  -0.04    -0.05  -0.03   0.00     0.01  -0.02  -0.00
     4   7     0.00   0.01   0.04     0.01  -0.01   0.01    -0.00   0.00   0.00
     5   6    -0.03  -0.01   0.03     0.12   0.05  -0.08    -0.00  -0.00   0.00
     6   8    -0.01   0.02  -0.01    -0.00  -0.05   0.02    -0.00   0.00  -0.00
     7   8     0.03   0.00  -0.02    -0.10  -0.01   0.06     0.00   0.00  -0.00
     8   1     0.21   0.76   0.27    -0.03   0.19   0.07    -0.01   0.06   0.01
     9   1    -0.36  -0.15  -0.13    -0.03  -0.01  -0.01    -0.13   0.67   0.12
    10   1     0.07   0.04   0.02     0.02   0.01   0.02    -0.10   0.03   0.71
    11   1    -0.10  -0.06   0.09     0.66   0.43  -0.52    -0.01  -0.01  -0.00
    12   1    -0.02  -0.14  -0.01     0.01  -0.03  -0.00     0.01   0.03  -0.01
    13   1     0.02   0.21  -0.09    -0.03   0.13  -0.05    -0.01  -0.00   0.01
    14   1     0.03  -0.01  -0.01    -0.01   0.00  -0.00     0.01  -0.01  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1664.3614              1840.5591              2664.7513
 Red. masses --      1.0868                 9.6411                 1.0385
 Frc consts  --      1.7738                19.2432                 4.3446
 IR Inten    --     41.1598               329.8560                 1.6877
 RamAct Fr= 1--      4.1417                13.0578               129.5771
  Dep-P Fr= 1--      0.6921                 0.2770                 0.2024
  Dep-U Fr= 1--      0.8180                 0.4338                 0.3367
 Alpha2 Fr= 1--      0.0042                 0.1433                 1.7484
 Beta2  Fr= 1--      0.5647                 0.9441                 7.2711
 AlphaG Fr= 1--     -0.0145                -0.0544                 0.0764
 Gamma2 Fr= 1--     -1.0081                 0.0604                -0.6276
 Delta2 Fr= 1--     -0.7261                 0.3734                -1.5399
 Raman1 Fr= 1--      16.567                 52.231                518.308
 ROA1   Fr= 1--    -120.010                 17.749               -109.528
 CID1   Fr= 1--      -7.244                  0.340                 -0.211
 Raman2 Fr= 1--       6.776                 11.330                 87.253
 ROA2   Fr= 1--     -18.386                 -1.537                 -2.744
 CID2   Fr= 1--      -2.713                 -0.136                 -0.031
 Raman3 Fr= 1--      13.553                 22.659                174.507
 ROA3   Fr= 1--    -120.010                 17.749               -109.528
 CID3   Fr= 1--      -8.855                  0.783                 -0.628
 RC180  Fr= 1--       0.636                 -0.132                 -0.327
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.01   0.01   0.01    -0.00  -0.00   0.00
     2  16    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01  -0.03
     3   6     0.02   0.00  -0.02     0.02  -0.04   0.00    -0.00  -0.00   0.00
     4   7     0.02  -0.07  -0.02     0.00  -0.01   0.00    -0.00   0.00   0.00
     5   6    -0.01  -0.01   0.01    -0.28   0.64  -0.17     0.00  -0.00   0.00
     6   8     0.00   0.00  -0.00     0.17  -0.39   0.10    -0.00   0.00  -0.00
     7   8     0.00   0.00  -0.00     0.05  -0.05   0.00    -0.00   0.00   0.00
     8   1    -0.02   0.03  -0.02    -0.13   0.09  -0.02     0.00   0.00   0.00
     9   1     0.01  -0.00   0.00    -0.01  -0.00   0.01     0.00   0.00  -0.02
    10   1    -0.01  -0.01  -0.01    -0.05   0.01  -0.02    -0.00   0.00   0.00
    11   1    -0.03  -0.02   0.00    -0.38  -0.19   0.27     0.00   0.00  -0.00
    12   1     0.09   0.55   0.45    -0.00  -0.01   0.04    -0.00   0.00  -0.00
    13   1    -0.54   0.42  -0.06    -0.01   0.02  -0.01     0.00  -0.00  -0.00
    14   1     0.00   0.01   0.00     0.00   0.00   0.00    -0.05  -0.36   0.93
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3030.1986              3067.6502              3136.4287
 Red. masses --      1.0838                 1.0638                 1.1015
 Frc consts  --      5.8635                 5.8982                 6.3840
 IR Inten    --     15.7019                 6.3813                 0.8434
 RamAct Fr= 1--     90.7308                56.5826                43.4504
  Dep-P Fr= 1--      0.1937                 0.0658                 0.4652
  Dep-U Fr= 1--      0.3245                 0.1235                 0.6350
 Alpha2 Fr= 1--      1.2528                 1.0762                 0.2503
 Beta2  Fr= 1--      4.9076                 1.1645                 4.5984
 AlphaG Fr= 1--     -0.4496                 0.1953                 0.1255
 Gamma2 Fr= 1--      1.7797                -2.6435                 0.2803
 Delta2 Fr= 1--      2.9486                -1.6188                 0.9238
 Raman1 Fr= 1--     362.923                226.331                173.802
 ROA1   Fr= 1--     265.209               -305.583                 56.466
 CID1   Fr= 1--       0.731                 -1.350                  0.325
 Raman2 Fr= 1--      58.891                 13.974                 55.181
 ROA2   Fr= 1--      19.125                -50.494                 -0.664
 CID2   Fr= 1--       0.325                 -3.613                 -0.012
 Raman3 Fr= 1--     117.782                 27.948                110.362
 ROA3   Fr= 1--     265.209               -305.583                 56.466
 CID3   Fr= 1--       2.252                -10.934                  0.512
 RC180  Fr= 1--      -0.351                 -0.753                  0.270
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.01     0.01  -0.02  -0.07     0.00  -0.08   0.04
     2  16    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     3   6     0.01   0.02  -0.08     0.00   0.00  -0.01    -0.00  -0.00   0.01
     4   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     7   8    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     8   1    -0.15  -0.28   0.93    -0.03  -0.05   0.16     0.01   0.02  -0.06
     9   1     0.03   0.05  -0.17    -0.14  -0.23   0.85     0.06   0.09  -0.38
    10   1    -0.00  -0.02   0.00    -0.05   0.41  -0.06    -0.11   0.90  -0.09
    11   1     0.00  -0.01   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    12   1     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    13   1    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    14   1    -0.00   0.00  -0.00    -0.00  -0.00   0.01     0.00   0.00  -0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3449.4668              3481.3798              3558.3569
 Red. masses --      1.0632                 1.0531                 1.0910
 Frc consts  --      7.4534                 7.5201                 8.1390
 IR Inten    --    225.5706                11.9399                22.6738
 RamAct Fr= 1--     85.4020                65.0071                43.8802
  Dep-P Fr= 1--      0.0583                 0.1134                 0.5697
  Dep-U Fr= 1--      0.1101                 0.2038                 0.7259
 Alpha2 Fr= 1--      1.6541                 1.1012                 0.1493
 Beta2  Fr= 1--      1.5671                 2.2076                 5.3085
 AlphaG Fr= 1--      0.5348                 0.1017                -0.0538
 Gamma2 Fr= 1--     -3.2364                12.0224                -9.5188
 Delta2 Fr= 1--     -2.9064                 4.4921                -1.2622
 Raman1 Fr= 1--     341.608                260.028                175.521
 ROA1   Fr= 1--    -403.703               1297.892               -954.197
 CID1   Fr= 1--      -1.182                  4.991                 -5.436
 Raman2 Fr= 1--      18.805                 26.491                 63.702
 ROA2   Fr= 1--     -54.424                252.600               -218.355
 CID2   Fr= 1--      -2.894                  9.535                 -3.428
 Raman3 Fr= 1--      37.610                 52.981                127.404
 ROA3   Fr= 1--    -403.703               1297.892               -954.197
 CID3   Fr= 1--     -10.734                 24.497                 -7.490
 RC180  Fr= 1--      -0.780                 -0.592                  0.452
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2  16     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     4   7     0.01  -0.01  -0.00    -0.04   0.03   0.02    -0.05  -0.02  -0.05
     5   6    -0.00  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   8     0.03  -0.05   0.00     0.01  -0.01   0.00     0.00  -0.00   0.00
     8   1     0.00  -0.01   0.01     0.00  -0.01  -0.00    -0.00  -0.00   0.01
     9   1    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    10   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   1    -0.51   0.80  -0.10    -0.16   0.25  -0.03    -0.01   0.02  -0.00
    12   1    -0.25   0.07  -0.05     0.77  -0.21   0.17     0.48  -0.14   0.07
    13   1     0.05   0.07   0.11    -0.18  -0.24  -0.40     0.27   0.42   0.70
    14   1     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number 16 and mass  31.97207
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  7 and mass  14.00307
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  8 and mass  15.99491
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Molecular mass:   121.01975 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   412.111121539.027661780.76180
           X            0.99988   0.01426  -0.00658
           Y           -0.01410   0.99961   0.02415
           Z            0.00692  -0.02406   0.99969
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.21017     0.05628     0.04864
 Rotational constants (GHZ):           4.37926     1.17265     1.01347
 Zero-point vibrational energy     284531.4 (Joules/Mol)
                                   68.00463 (Kcal/Mol)
 Warning -- explicit consideration of   9 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    109.75   159.34   248.64   358.17   390.49
          (Kelvin)            478.65   506.71   589.51   792.09   943.76
                              948.30  1116.02  1152.67  1230.97  1240.99
                             1299.01  1368.88  1477.44  1590.87  1693.67
                             1747.22  1836.10  1868.52  1927.15  1974.80
                             2026.48  2111.86  2394.64  2648.15  3833.98
                             4359.78  4413.66  4512.62  4963.01  5008.93
                             5119.68
 
 Zero-point correction=                           0.108372 (Hartree/Particle)
 Thermal correction to Energy=                    0.116278
 Thermal correction to Enthalpy=                  0.117222
 Thermal correction to Gibbs Free Energy=         0.075529
 Sum of electronic and zero-point Energies=           -722.019078
 Sum of electronic and thermal Energies=              -722.011173
 Sum of electronic and thermal Enthalpies=            -722.010228
 Sum of electronic and thermal Free Energies=         -722.051922
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   72.966             28.060             87.751
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.287
 Rotational               0.889              2.981             28.515
 Vibrational             71.188             22.099             18.950
 Vibration     1          0.599              1.965              3.984
 Vibration     2          0.607              1.941              3.256
 Vibration     3          0.626              1.876              2.405
 Vibration     4          0.662              1.765              1.738
 Vibration     5          0.675              1.726              1.587
 Vibration     6          0.715              1.610              1.247
 Vibration     7          0.729              1.571              1.156
 Vibration     8          0.774              1.449              0.928
 Vibration     9          0.906              1.139              0.543
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.181632D-34        -34.740808        -79.993668
 Total V=0       0.127918D+16         15.106931         34.784995
 Vib (Bot)       0.912377D-48        -48.039826       -110.615786
 Vib (Bot)    1  0.270141D+01          0.431590          0.993772
 Vib (Bot)    2  0.184909D+01          0.266958          0.614694
 Vib (Bot)    3  0.116508D+01          0.066357          0.152792
 Vib (Bot)    4  0.784401D+00         -0.105462         -0.242835
 Vib (Bot)    5  0.711577D+00         -0.147778         -0.340271
 Vib (Bot)    6  0.560718D+00         -0.251256         -0.578538
 Vib (Bot)    7  0.523130D+00         -0.281390         -0.647926
 Vib (Bot)    8  0.431886D+00         -0.364631         -0.839594
 Vib (Bot)    9  0.284912D+00         -0.545290         -1.255576
 Vib (V=0)       0.642561D+02          1.807914          4.162876
 Vib (V=0)    1  0.324729D+01          0.511521          1.177820
 Vib (V=0)    2  0.241550D+01          0.383007          0.881906
 Vib (V=0)    3  0.176784D+01          0.247443          0.569758
 Vib (V=0)    4  0.143021D+01          0.155399          0.357819
 Vib (V=0)    5  0.136968D+01          0.136619          0.314577
 Vib (V=0)    6  0.125127D+01          0.097350          0.224158
 Vib (V=0)    7  0.122365D+01          0.087656          0.201836
 Vib (V=0)    8  0.116070D+01          0.064720          0.149024
 Vib (V=0)    9  0.107548D+01          0.031601          0.072765
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523285D+08          7.718738         17.773052
 Rotational      0.380434D+06          5.580279         12.849067
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  33           3 33            2                             1     1      1 1 1111 11  1  1                                    
     5  44           1 00            6                             8     6      4 4 3322 21  1  0  9988 87  66   5    4 33 22 1  1   
     5  84           3 63            6                             4     6      6 0 7397 17  0  2  5065 07  55   5    1 53 74 7  17  
     8  19           6 80            5                             1     4      8 8 3996 47  6  7  1336 16  96   1    0 23 19 3  16  
 
     X  XX           X XX            X                             X     X      X X XXXX XX  X  X  XXXX XX  XX   X    X XX XX X  XX  
         X                                                         X     X        X             X  XXX                               
         X                                                         X              X             X  X X                               
         X                                                         X              X                                                  
         X                                                         X              X                                                  
         X                                                         X              X                                                  
         X                                                         X              X                                                  
         X                                                         X              X                                                  
         X                                                         X              X                                                  
         X                                                         X              X                                                  
         X                                                         X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000047951   -0.000001086    0.000017996
      2       16          -0.000023852    0.000008089    0.000001505
      3        6          -0.000014692   -0.000042433   -0.000034546
      4        7           0.000003549    0.000022768   -0.000014491
      5        6           0.000001142    0.000019273    0.000012402
      6        8          -0.000002227   -0.000010824    0.000000620
      7        8          -0.000011762    0.000007621    0.000005383
      8        1           0.000004517   -0.000002196    0.000002534
      9        1          -0.000001614    0.000000936    0.000002810
     10        1          -0.000010091   -0.000002080   -0.000003577
     11        1           0.000007943   -0.000009045   -0.000004903
     12        1          -0.000003936    0.000001959    0.000008378
     13        1          -0.000001057    0.000005800    0.000005592
     14        1           0.000004132    0.000001217    0.000000296
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000047951 RMS     0.000014302
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.898067D+02 -0.896782D+00 -0.244506D+01
      2  -0.896782D+00  0.742267D+02 -0.227756D+01
      3  -0.244506D+01 -0.227756D+01  0.635644D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.344764D+01  0.106924D+01 -0.639278D+00
      2   0.132709D+01 -0.794778D+01 -0.296285D+02
      3   0.721061D+01  0.152601D+02  0.648091D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.969170D+02 -0.152358D+02 -0.136148D+02
      2   0.552655D+02  0.103541D+02  0.447015D+01
      3   0.416515D+02  0.488170D+01  0.914465D+01
      4  -0.214527D+02 -0.132846D+02 -0.165024D+02
      5  -0.398312D+01 -0.177977D+02 -0.466482D+02
      6  -0.398886D+01  0.121823D+02  0.728168D+00
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.108466D+02 -0.249806D+01 -0.163135D+01 -0.508902D+01 -0.212578D+01
      2  -0.249806D+01  0.126735D+00  0.193238D+00 -0.212578D+01  0.426563D+01
      3  -0.163135D+01  0.193238D+00 -0.475489D+00 -0.484823D+00 -0.206762D-01
                 6             7             8             9            10 
      1  -0.484823D+00 -0.444323D+01 -0.216148D+00 -0.160289D+01 -0.178604D+02
      2  -0.206762D-01 -0.216148D+00 -0.115042D+01 -0.106556D+01  0.214026D+01
      3  -0.148529D+01 -0.160289D+01 -0.106556D+01  0.477625D+01 -0.315446D+00
                11            12            13            14            15 
      1   0.214026D+01 -0.315446D+00  0.431540D+01 -0.341965D+01 -0.788904D-01
      2  -0.274095D+01 -0.452384D+00 -0.341965D+01  0.304150D+00 -0.960965D+00
      3  -0.452384D+00 -0.116138D+01 -0.788904D-01 -0.960965D+00  0.286636D+01
                16            17            18            19            20 
      1  -0.112238D+01 -0.261596D+00 -0.231263D+01 -0.184686D+01  0.171393D+01
      2  -0.261596D+00 -0.152381D+01  0.263924D+01  0.171393D+01  0.563299D+00
      3  -0.231263D+01  0.263924D+01 -0.738447D+01  0.146479D+01 -0.161666D+00
                21            22            23            24            25 
      1   0.146479D+01  0.540398D+01  0.531799D+00  0.338186D+00  0.506853D+01
      2  -0.161666D+00  0.531799D+00 -0.164718D+01 -0.452345D+00 -0.869929D-01
      3   0.884395D+00  0.338186D+00 -0.452345D+00  0.227083D+01  0.153535D+01
                26            27            28            29            30 
      1  -0.869929D-01  0.153535D+01  0.501923D+01  0.334639D+00 -0.320551D+00
      2  -0.429456D-01  0.278082D+01  0.334639D+00  0.965588D+00  0.499090D-01
      3   0.278082D+01 -0.491961D+01 -0.320551D+00  0.499090D-01 -0.127438D+01
                31            32            33            34            35 
      1  -0.137034D+01  0.181153D+00 -0.674064D+00 -0.541562D+00 -0.659013D+00
      2   0.181153D+00  0.299956D+01 -0.132213D+01 -0.659013D+00 -0.305286D+01
      3  -0.674064D+00 -0.132213D+01 -0.167103D+01 -0.145996D+01 -0.186215D+01
                36            37            38            39            40 
      1  -0.145996D+01  0.247654D+01 -0.147046D+00 -0.100928D+01  0.132684D+01
      2  -0.186215D+01 -0.147046D+00 -0.136382D+01  0.136310D+01 -0.244878D+01
      3  -0.203915D+01 -0.100928D+01  0.136310D+01  0.101602D-01  0.119586D+01
                41            42            43            44            45 
      1  -0.244878D+01  0.119586D+01 -0.113520D+01  0.157680D+01 -0.236646D+00
      2   0.456288D+01 -0.101224D+01  0.157680D+01 -0.111114D+01 -0.393828D+00
      3  -0.101224D+01  0.367236D+00 -0.236646D+00 -0.393828D+00  0.313429D+00
                46            47            48            49            50 
      1   0.454382D+01 -0.393757D+01  0.140015D+01 -0.559133D+01  0.389635D+01
      2  -0.393757D+01  0.308273D+01 -0.960980D+00  0.389635D+01 -0.108254D+02
      3   0.140015D+01 -0.960980D+00  0.103844D+01 -0.655681D+00  0.186314D+01
                51            52            53            54            55 
      1  -0.655681D+00  0.148123D+01 -0.746685D+00  0.195775D+01  0.609121D+01
      2   0.186314D+01 -0.746685D+00  0.136718D+01 -0.281625D+01  0.101766D+01
      3  -0.248181D+01  0.195775D+01 -0.281625D+01  0.223037D+01 -0.238859D+01
                56            57            58            59            60 
      1   0.101766D+01 -0.238859D+01 -0.169180D+01  0.327445D+01  0.546796D+00
      2   0.255691D+01 -0.488557D+00  0.327445D+01 -0.180117D+00 -0.623134D+00
      3  -0.488557D+00  0.140673D+01  0.546796D+00 -0.623134D+00 -0.116946D+00
                61            62            63            64            65 
      1  -0.229547D+01 -0.729537D+00  0.168681D+01 -0.323981D+00 -0.767584D+00
      2  -0.729537D+00 -0.185472D+00  0.124879D+01 -0.767584D+00 -0.329035D+00
      3   0.168681D+01  0.124879D+01 -0.268942D+01  0.990795D+00  0.503389D-01
                66            67            68            69            70 
      1   0.990795D+00 -0.136376D+01 -0.333863D+00  0.830101D-02  0.937609D+00
      2   0.503389D-01 -0.333863D+00 -0.118386D+01  0.149389D+01  0.440672D-01
      3  -0.740631D+00  0.830101D-02  0.149389D+01 -0.166576D+01 -0.200825D+00
                71            72            73            74            75 
      1   0.440672D-01 -0.200825D+00 -0.311693D+00  0.467889D+00 -0.862657D+00
      2   0.192186D+01 -0.168432D+01  0.467889D+00  0.149979D+00 -0.203754D-01
      3  -0.168432D+01  0.698167D+01 -0.862657D+00 -0.203754D-01  0.773567D+00
                76            77            78            79            80 
      1   0.158878D+01  0.544010D+00 -0.172673D+00 -0.186743D+01 -0.129846D+00
      2   0.544010D+00  0.541744D-01 -0.102077D+01 -0.129846D+00 -0.984949D+00
      3  -0.172673D+00 -0.102077D+01  0.131882D+01  0.117678D+01  0.760972D-01
                81            82            83            84            85 
      1   0.117678D+01  0.374319D+00 -0.829233D+00  0.226268D+00 -0.242599D+01
      2   0.760972D-01 -0.829233D+00  0.380167D+00  0.828684D-01  0.165610D+01
      3  -0.742492D+01  0.226268D+00  0.828684D-01  0.207751D+00  0.260976D+00
                86            87            88            89            90 
      1   0.165610D+01  0.260976D+00  0.134905D+01 -0.627872D-01  0.433502D+00
      2  -0.679701D+01 -0.621057D+00 -0.627872D-01  0.415743D+00 -0.784069D+00
      3  -0.621057D+00 -0.804588D+00  0.433502D+00 -0.784069D+00 -0.375802D+00
                91            92            93            94            95 
      1  -0.227245D+01  0.158291D+01  0.100755D+01  0.368712D+01 -0.393251D+00
      2   0.158291D+01 -0.113536D+01 -0.568224D-01 -0.393251D+00  0.386907D+01
      3   0.100755D+01 -0.568224D-01 -0.374308D+00 -0.111598D+01 -0.840381D+00
                96            97            98            99           100 
      1  -0.111598D+01  0.223626D+00 -0.266729D+00  0.254202D+00 -0.633162D+01
      2  -0.840381D+00 -0.266729D+00 -0.819598D+00  0.756226D+00  0.556053D+00
      3   0.145341D+01  0.254202D+00  0.756226D+00 -0.125499D+01 -0.636232D+00
               101           102           103           104           105 
      1   0.556053D+00 -0.636232D+00  0.142590D+01 -0.144167D+01 -0.101584D+00
      2  -0.300882D+01 -0.211076D+00 -0.144167D+01  0.181857D+01  0.339250D-01
      3  -0.211076D+00 -0.618156D+00 -0.101584D+00  0.339250D-01  0.723723D+00
               106           107           108           109           110 
      1  -0.126261D+01 -0.147266D+00 -0.675529D-01  0.947140D+00  0.958571D+00
      2  -0.147266D+00 -0.289324D+00  0.717921D+00  0.958571D+00  0.113613D+01
      3  -0.675529D-01  0.717921D+00 -0.835395D-01  0.717668D+00  0.567354D+00
               111           112           113           114           115 
      1   0.717668D+00  0.845165D+00  0.858803D+00  0.486135D+00  0.108998D+01
      2   0.567354D+00  0.858803D+00  0.367352D+01  0.213672D+01  0.100284D+01
      3   0.145066D+01  0.486135D+00  0.213672D+01  0.227542D+01  0.132308D+01
               116           117           118           119           120 
      1   0.100284D+01  0.132308D+01 -0.135179D+01 -0.592423D+00  0.135688D+01
      2   0.345050D+01  0.312583D+01 -0.592423D+00 -0.383558D+00  0.450489D-01
      3   0.312583D+01  0.355692D+01  0.135688D+01  0.450489D-01 -0.112736D+01
               121           122           123           124           125 
      1  -0.106094D+01 -0.779667D+00  0.447438D+00  0.251787D+01  0.682896D+00
      2  -0.779667D+00 -0.913982D+00  0.134601D+01  0.682896D+00  0.200523D+01
      3   0.447438D+00  0.134601D+01 -0.305038D+01 -0.248698D+01 -0.273876D+01
               126 
      1  -0.248698D+01
      2  -0.273876D+01
      3   0.831326D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.295512D+00  0.340766D-01  0.260129D+00  0.774804D+00 -0.399561D+01
      2   0.487267D+01 -0.155996D+01  0.556257D+00 -0.149893D+00 -0.106967D+01
      3  -0.663455D+01  0.434266D+01  0.221661D+01  0.122557D+02  0.603260D+01
                 6             7             8             9            10 
      1  -0.435028D+01 -0.164027D+01  0.183576D+01  0.475036D+01 -0.755728D+00
      2   0.631096D+00 -0.994642D+01  0.111478D+01 -0.305179D+01 -0.437484D+01
      3   0.157633D+00  0.144458D+01 -0.130184D+01  0.321469D+00  0.137204D+02
                11            12            13            14            15 
      1   0.106551D+01 -0.128751D+01  0.305970D+01 -0.100512D+00 -0.850884D+01
      2   0.124518D+01  0.845111D+01 -0.699879D+00  0.171852D+01 -0.743417D+01
      3  -0.128856D+02 -0.137777D+01  0.760027D+01  0.244266D+01 -0.314929D+01
                16            17            18            19            20 
      1  -0.582266D+00  0.740881D+01 -0.170188D+01  0.220067D+00 -0.433131D-02
      2  -0.996290D+01 -0.824368D+01  0.216166D+02  0.104367D+02  0.236981D+00
      3   0.249286D+00 -0.511200D+01  0.846612D+01 -0.478106D+01 -0.795518D+01
                21            22            23            24            25 
      1  -0.216188D+00 -0.313806D+01 -0.124280D+01  0.751448D+00  0.217411D+00
      2   0.513733D+01 -0.783724D-01 -0.284267D+00 -0.698313D+00 -0.447654D+01
      3  -0.135916D+01  0.246073D+00  0.128055D+01  0.216187D+01 -0.198002D+01
                26            27            28            29            30 
      1   0.334815D+01  0.806962D+00 -0.157260D+00  0.489828D+00  0.222767D+01
      2   0.146509D+01 -0.364649D+01 -0.168950D+01 -0.291250D+00  0.272648D+01
      3   0.123591D+01 -0.410905D+00  0.168692D+02 -0.492789D+01  0.959339D+00
                31            32            33            34            35 
      1   0.182805D+01  0.617644D+01 -0.207324D+01  0.306883D+01  0.803224D+01
      2  -0.281828D+00 -0.471767D+00  0.215064D+00 -0.400611D+01 -0.682381D-01
      3   0.136859D+01 -0.165964D+01 -0.112775D+01  0.115161D+01  0.284233D+00
                36            37            38            39            40 
      1   0.510998D+01  0.113152D+01  0.117241D+01 -0.297736D+01  0.199600D+01
      2  -0.646844D+00 -0.118987D+02  0.118298D+00 -0.421410D+01 -0.442325D+01
      3  -0.328072D+01  0.883261D+01  0.282028D+01 -0.116027D+00  0.614253D+01
                41            42            43            44            45 
      1   0.614702D+01  0.487802D+01 -0.112291D+00  0.548854D+01 -0.638857D+01
      2  -0.996312D+00  0.473345D+01 -0.145108D+02  0.197578D+01  0.602647D+01
      3  -0.135932D+02 -0.121784D+01  0.198386D+01 -0.230539D+01 -0.879783D+00
                46            47            48            49            50 
      1  -0.172782D+00  0.124735D+01  0.403378D+01  0.387273D+00 -0.266682D+01
      2   0.244559D+01 -0.703855D+00  0.666165D+01  0.470998D+01  0.278304D+01
      3   0.340528D+00 -0.831467D+01  0.111614D+01  0.424402D+01  0.217137D+02
                51            52            53            54            55 
      1  -0.930513D+01  0.626725D-02  0.210094D+01  0.250528D+01  0.246221D+01
      2  -0.729625D+01  0.269846D+01 -0.571514D+01  0.311200D+01  0.210197D+01
      3  -0.253612D+01  0.769279D-01 -0.195795D+01  0.548229D+01  0.546443D+01
                56            57            58            59            60 
      1  -0.461424D+01 -0.222972D+01 -0.479667D+01  0.194749D+01 -0.191904D+01
      2  -0.267906D+01  0.717793D+01 -0.731936D+00  0.528814D+00 -0.247724D-01
      3  -0.142961D+02 -0.328647D+00 -0.107976D+02  0.461586D+01  0.345805D+01
                61            62            63            64            65 
      1  -0.119448D+01  0.319908D+01  0.191268D+01 -0.379194D+00 -0.548793D+00
      2   0.446554D+01  0.176939D+01 -0.779358D+01  0.709871D+00  0.279495D+00
      3  -0.208139D+01  0.252503D+01 -0.210096D+01 -0.141149D+00  0.935554D-01
                66            67            68            69            70 
      1  -0.397414D-01  0.293748D+00 -0.140322D+01 -0.199969D+00 -0.429654D-01
      2  -0.169322D+00  0.923129D+00  0.912429D+00 -0.538725D+00 -0.294121D+01
      3   0.339435D+00  0.233150D+01  0.237846D+00 -0.720629D+00 -0.761168D+00
                71            72            73            74            75 
      1   0.324524D+01  0.275862D+00 -0.129852D+01 -0.743195D+00  0.509134D+00
      2  -0.637966D+00  0.275912D+01  0.198944D+01  0.416627D+00  0.250295D+00
      3  -0.254918D+00  0.274335D+00  0.406425D+00 -0.145644D+01  0.304453D+00
                76            77            78            79            80 
      1  -0.830043D+00 -0.792917D+00  0.815748D+00  0.905620D+00  0.258479D+01
      2   0.167366D+01  0.141168D+01 -0.137034D+01 -0.511354D+01 -0.434973D+00
      3   0.330006D+00 -0.520459D-02 -0.742933D+00  0.996690D+00 -0.357771D+00
                81            82            83            84            85 
      1  -0.520813D+01  0.115520D+01 -0.695101D+00  0.711241D+00 -0.162296D+01
      2   0.689979D+01  0.226031D+00 -0.192521D+00  0.139758D+01 -0.151213D+01
      3  -0.611761D+00 -0.378930D+01 -0.112281D+01 -0.602175D+00  0.511619D+01
                86            87            88            89            90 
      1   0.405076D+01 -0.196698D+01  0.872243D+00 -0.256603D+00 -0.853468D-01
      2   0.139266D+01  0.358778D+00 -0.646550D+00  0.126729D+00  0.333986D+00
      3  -0.514447D+01 -0.250085D+00 -0.163981D+01  0.774195D+00 -0.756207D+00
                91            92            93            94            95 
      1  -0.376017D+01  0.406177D+01  0.365149D+00  0.469162D+01 -0.356803D+01
      2  -0.285038D+01  0.215735D+01 -0.167707D+01  0.101585D+01 -0.326367D+01
      3  -0.854393D+01  0.867870D+01  0.162899D+01  0.107215D+02 -0.122238D+02
                96            97            98            99           100 
      1  -0.206982D+01  0.146278D+00  0.663887D+00  0.107677D+01  0.193983D+01
      2   0.274749D+01 -0.174348D+01  0.179975D+01 -0.429914D+00  0.133345D+01
      3  -0.556164D+00  0.143170D+01  0.149279D+00 -0.996287D+00 -0.205814D+02
               101           102           103           104           105 
      1  -0.503314D+00  0.209311D+01 -0.150956D+00  0.782820D+00 -0.113531D+01
      2  -0.504568D+00  0.581372D+00 -0.422170D-01  0.614610D+00 -0.108992D+01
      3  -0.105560D+01 -0.187962D+01  0.331520D+01 -0.215206D+01 -0.661411D+00
               106           107           108           109           110 
      1   0.815524D-01 -0.794227D-01  0.612355D+00 -0.838308D+00 -0.114999D+01
      2  -0.142478D+01 -0.112055D+01 -0.197346D+00 -0.634195D-01  0.348655D+00
      3  -0.370679D+01 -0.747772D+00  0.739586D+00  0.126554D+01  0.780189D+00
               111           112           113           114           115 
      1  -0.334509D+01 -0.730113D+00 -0.301221D+01 -0.492842D+01 -0.227555D+01
      2   0.759057D+00 -0.363186D+00  0.402517D+00  0.732345D+00 -0.140485D+01
      3   0.458213D+00  0.263568D+01  0.609799D-01  0.153527D+00  0.228144D+01
               116           117           118           119           120 
      1  -0.395037D+01 -0.679223D+01  0.157627D+00  0.188018D+00 -0.104609D+00
      2   0.674320D+00  0.113319D+01 -0.445517D+01 -0.996112D-02  0.414562D+01
      3   0.563356D+00  0.169363D+01 -0.198932D+01 -0.181771D+01 -0.219684D+00
               121           122           123           124           125 
      1  -0.546079D+00 -0.118383D+01 -0.177238D+01  0.111220D+00  0.349561D+01
      2  -0.399203D-01 -0.367858D+01  0.903428D+01  0.413314D+01  0.774039D+01
      3  -0.629688D+00 -0.205160D+01  0.381285D+01  0.553086D+00  0.650563D+01
               126 
      1   0.198583D+01
      2  -0.248969D+02
      3  -0.794080D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.506684D+02  0.690606D+01  0.336815D+01  0.112205D+02  0.146230D+02
      2   0.251604D+02 -0.313248D+01 -0.302647D+01 -0.365087D+01 -0.157151D+02
      3   0.255080D+02 -0.377357D+01 -0.341679D+00 -0.756964D+01  0.109211D+01
      4   0.178248D+01 -0.919845D+01 -0.905679D+00  0.101677D+02 -0.385262D+01
      5   0.464715D+00 -0.155954D+01 -0.598627D+01  0.134935D+01 -0.784746D+00
      6   0.315852D+01  0.353971D+00 -0.713474D-01  0.574379D-01 -0.153335D+00
                 6             7             8             9            10 
      1  -0.395206D+00  0.108105D+02  0.199356D-01  0.109064D+02  0.105062D+03
      2  -0.259166D+01 -0.688210D+01 -0.865950D+00  0.244108D+01 -0.519835D+02
      3   0.298686D+01 -0.392842D+01  0.846014D+00 -0.133475D+02 -0.530788D+02
      4  -0.513336D+00  0.463334D+01  0.321875D+01  0.228291D+01 -0.220317D+00
      5   0.787484D+00  0.355996D+01  0.762067D-01 -0.331014D+01  0.549279D+01
      6   0.328132D+01  0.953509D+00  0.143979D+01 -0.167683D+01  0.582400D+00
                11            12            13            14            15 
      1  -0.995626D+01  0.246229D+01 -0.196373D+02  0.213928D+01 -0.320159D+01
      2   0.702796D+01 -0.211717D+01  0.158560D+02  0.166365D+02  0.149659D+01
      3   0.292831D+01 -0.345119D+00  0.378137D+01 -0.187758D+02  0.170500D+01
      4   0.290573D+02  0.412849D+01  0.323580D+02  0.427140D+01  0.668375D+01
      5   0.365100D+01  0.167916D+02  0.903633D+00  0.679886D+01 -0.136071D+02
      6   0.717546D+00  0.623428D+00  0.224731D+01  0.365374D+01  0.105104D+02
                16            17            18            19            20 
      1   0.115665D+01 -0.212273D+01  0.349744D+01 -0.126183D+01  0.177483D+01
      2  -0.474614D+01 -0.160696D+01 -0.106424D+02  0.276098D+01  0.887022D+00
      3   0.358949D+01  0.372968D+01  0.714493D+01 -0.149915D+01 -0.266186D+01
      4   0.318249D+01  0.844389D+01 -0.130445D+02  0.280965D+00  0.548474D+01
      5   0.245111D+02 -0.131650D+02  0.402194D+02  0.519006D+01 -0.605946D+00
      6  -0.132353D+00  0.130093D+02  0.106848D+02  0.100975D+01 -0.135815D+01
                21            22            23            24            25 
      1   0.497645D+00 -0.328335D+01  0.406296D+01 -0.507119D+01 -0.853967D+01
      2  -0.192258D+01  0.228073D+01 -0.341768D+01 -0.281926D+01  0.314601D+01
      3   0.142494D+01  0.100262D+01 -0.645278D+00  0.789045D+01  0.539366D+01
      4  -0.174287D+01 -0.701140D+01 -0.607748D+01  0.809804D-01 -0.508893D+01
      5   0.417211D+01  0.415934D+00  0.482301D+00 -0.838752D+00  0.564208D+00
      6  -0.781874D-01  0.146135D+01  0.630394D+00 -0.725377D+01 -0.103974D+01
                26            27            28            29            30 
      1  -0.537524D+01  0.423670D+01  0.414128D+01 -0.257825D+01 -0.176495D+01
      2  -0.203856D+01  0.103289D+02 -0.422835D+01  0.419388D+01  0.206294D+01
      3   0.741380D+01 -0.145656D+02  0.870733D-01 -0.161564D+01 -0.297993D+00
      4  -0.365928D+01  0.533218D-02  0.790893D+01 -0.291548D+01 -0.142797D+01
      5   0.968677D+00 -0.143499D+01 -0.131342D+01 -0.167996D+01  0.427563D+01
      6   0.905803D+00  0.389179D+01 -0.870733D+00 -0.865014D+00 -0.535890D+01
                31            32            33            34            35 
      1   0.175145D+01 -0.126835D+02  0.668694D+01  0.194571D+01  0.875885D+01
      2   0.550251D+00  0.215028D+02 -0.529077D+01  0.295109D-01 -0.888004D+01
      3  -0.230170D+01 -0.881923D+01 -0.139617D+01 -0.197522D+01  0.121196D+00
      4   0.232429D+01  0.444115D+01 -0.283056D+01 -0.100391D+01 -0.243533D+01
      5  -0.156457D+01 -0.167780D+01 -0.883658D+00  0.212280D+01 -0.111100D+01
      6  -0.478824D+01 -0.892374D+01  0.352443D+00 -0.618592D+01 -0.677064D+01
                36            37            38            39            40 
      1   0.373557D+01 -0.518553D+01 -0.804044D+01 -0.133515D+01  0.788337D+01
      2  -0.735369D+01 -0.499444D+00  0.996661D+01 -0.341806D+01 -0.164495D+01
      3   0.361812D+01  0.568497D+01 -0.192617D+01  0.475321D+01 -0.623842D+01
      4  -0.376330D+01  0.486162D+01 -0.171907D+02  0.567467D+01 -0.241436D+02
      5  -0.302995D+01 -0.349216D+01  0.709626D+01 -0.952674D+01  0.131593D+02
      6  -0.117041D+02  0.594614D+00  0.496656D-01  0.370827D+01 -0.666219D+00
                41            42            43            44            45 
      1   0.848227D+00  0.681285D+00  0.113908D+01  0.541941D+01 -0.287017D+01
      2  -0.137211D+02 -0.566129D+01 -0.260627D+01  0.168435D+01 -0.172400D+01
      3   0.128728D+02  0.498000D+01  0.146719D+01 -0.710377D+01  0.459417D+01
      4   0.271351D+02 -0.438221D+01  0.130705D+02  0.181548D+01  0.249199D+01
      5  -0.550288D+01  0.845993D+01 -0.253065D+01  0.166845D+01  0.522971D+01
      6   0.489753D+01 -0.830214D+01  0.121780D+01  0.259093D+01  0.497247D+01
                46            47            48            49            50 
      1   0.255527D+02 -0.984161D+01  0.392094D+01 -0.131943D+02 -0.112719D+02
      2  -0.889130D+01 -0.194088D+01 -0.262999D+01 -0.674912D+00  0.331483D+02
      3  -0.166614D+02  0.117825D+02 -0.129095D+01  0.138692D+02 -0.218764D+02
      4  -0.263106D+02  0.276434D+02 -0.600629D+01  0.325851D+02 -0.532555D+02
      5   0.102317D+02 -0.669356D+01  0.136447D+02 -0.736945D+01  0.108679D+02
      6  -0.269461D+01  0.198816D+01 -0.561019D+01  0.414036D+01 -0.601124D+01
                51            52            53            54            55 
      1   0.226630D+01  0.368105D+01  0.122682D+01 -0.160179D+01  0.393570D+02
      2  -0.690239D+00 -0.193125D+01 -0.153423D+01 -0.111279D+01 -0.234817D+02
      3  -0.157606D+01 -0.174980D+01  0.307404D+00  0.271458D+01 -0.158753D+02
      4   0.867934D+01 -0.624567D+01  0.584185D+01 -0.139579D+02  0.163478D+02
      5  -0.153984D+02  0.150284D+02 -0.139378D+02  0.110353D+02 -0.136270D+02
      6   0.138839D+02 -0.652138D+01  0.121337D+02 -0.610581D+01 -0.280539D+01
                56            57            58            59            60 
      1   0.442227D+01 -0.715631D+01 -0.610844D+01  0.943523D+01  0.288919D+01
      2   0.251126D+00  0.870022D+01  0.709147D+01 -0.161900D+01 -0.772177D+00
      3  -0.467339D+01 -0.154391D+01 -0.983032D+00 -0.781623D+01 -0.211702D+01
      4   0.191713D+02 -0.509403D+01  0.176922D+02  0.666359D+01 -0.223983D+01
      5  -0.411387D+01  0.160446D+02 -0.861058D+00 -0.398676D+01  0.101800D+01
      6  -0.189249D+01  0.395831D+01 -0.602598D+00 -0.197147D+01  0.666939D+01
                61            62            63            64            65 
      1  -0.334430D+01 -0.109205D+01  0.148549D+01 -0.390325D+00 -0.226715D+00
      2   0.424671D+01  0.109908D+01 -0.108237D+02 -0.362659D+01 -0.660735D+00
      3  -0.902412D+00 -0.703530D-02  0.933819D+01  0.401692D+01  0.887450D+00
      4  -0.596003D+01 -0.532933D+01  0.667906D+01  0.809756D-01  0.903288D+00
      5   0.155958D+02  0.617258D+01 -0.172571D+02 -0.109111D+01 -0.121686D+01
      6   0.226657D+01  0.572221D+01 -0.380286D+01 -0.156494D+01 -0.534181D+00
                66            67            68            69            70 
      1   0.951149D+00 -0.284816D-01 -0.447141D+01  0.395532D+01  0.166651D+01
      2   0.109762D+01 -0.101571D+01 -0.612867D+00  0.214646D+01  0.397099D+00
      3  -0.204876D+01  0.104419D+01  0.508428D+01 -0.610178D+01 -0.206361D+01
      4  -0.657658D+00  0.280293D+01  0.507806D+00  0.104028D+00 -0.579094D+00
      5   0.472569D+01 -0.143507D+01  0.161354D-01  0.127299D+00  0.422685D+01
      6   0.143368D+00 -0.724900D+00 -0.436179D+01  0.759378D+01  0.564475D+00
                71            72            73            74            75 
      1   0.321835D+01 -0.174596D+02  0.318386D+01 -0.868783D+00  0.234966D+01
      2   0.402770D+01 -0.136779D+02 -0.461235D+01  0.632844D-01  0.577751D+00
      3  -0.724605D+01  0.311375D+02  0.142850D+01  0.805498D+00 -0.292741D+01
      4   0.852990D+00 -0.435262D+00 -0.273728D+00  0.132341D+01  0.766463D+00
      5  -0.416495D+00  0.146336D+01 -0.931327D+00  0.987871D-01  0.547936D+01
      6   0.546065D+01 -0.606889D+01 -0.184210D+00 -0.531324D+00 -0.246611D+00
                76            77            78            79            80 
      1  -0.358474D+01 -0.467667D+01  0.248886D+01  0.599631D+01  0.127998D+00
      2   0.124212D+01  0.178516D+01  0.171354D+01 -0.330208D+00  0.116443D+01
      3   0.234262D+01  0.289151D+01 -0.420240D+01 -0.566610D+01 -0.129242D+01
      4  -0.531578D+00 -0.534486D+00  0.137957D+01  0.165525D+01  0.971591D+00
      5   0.812887D-01  0.113190D+01 -0.140855D+01  0.241749D+01 -0.941960D-01
      6  -0.616436D+00 -0.599984D+00  0.415254D+01 -0.882603D+00  0.383483D+01
                81            82            83            84            85 
      1  -0.206558D+02  0.203803D+01  0.256404D+01 -0.160453D+00  0.100100D+02
      2  -0.913949D+01  0.180536D+01 -0.307941D+01  0.567136D+00 -0.916704D+01
      3   0.297953D+02 -0.384339D+01  0.515372D+00 -0.406683D+00 -0.842980D+00
      4  -0.158213D+01 -0.109252D+01  0.647414D+01  0.534871D+00  0.214607D+01
      5   0.715557D+01 -0.383931D+00  0.967555D+00  0.211941D+01  0.377193D+00
      6   0.434113D+01  0.984431D-03 -0.400909D+00 -0.542336D+00 -0.116111D+01
                86            87            88            89            90 
      1  -0.221944D+02 -0.271379D+01 -0.245936D+01  0.314915D+00 -0.464981D+01
      2   0.299368D+02  0.199423D+01  0.219658D+01 -0.100470D+01  0.246133D+01
      3  -0.774241D+01  0.719554D+00  0.262788D+00  0.689781D+00  0.218848D+01
      4   0.447390D+01 -0.341801D-01 -0.688345D-01 -0.115028D+01 -0.609907D-01
      5  -0.126132D+00  0.401803D+00  0.770394D+00  0.330347D+00  0.964870D-01
      6   0.448032D+01  0.419000D+01 -0.174283D+01  0.483531D+01  0.819382D+00
                91            92            93            94            95 
      1  -0.126767D+02  0.541909D+01  0.185879D+01  0.121569D+02 -0.836127D+01
      2   0.993441D+01 -0.233295D+01 -0.319612D+01 -0.685091D+01  0.923697D+01
      3   0.274234D+01 -0.308614D+01  0.133733D+01 -0.530596D+01 -0.875703D+00
      4   0.119601D+01 -0.308640D+01  0.150725D+01  0.400690D+01  0.133837D+02
      5   0.383334D+01  0.127114D+00 -0.376893D+01 -0.431199D+01 -0.268871D+01
      6   0.209819D+01 -0.321792D-01  0.679498D-01 -0.290957D+01 -0.443960D+01
                96            97            98            99           100 
      1  -0.391271D+00  0.204236D+01  0.219261D+01 -0.291923D+01  0.489090D+01
      2   0.556823D+00 -0.141501D+01 -0.182772D+01  0.122856D+01  0.132745D+01
      3  -0.165552D+00 -0.627349D+00 -0.364882D+00  0.169066D+01 -0.621835D+01
      4  -0.478927D+01 -0.180902D+00 -0.217665D+01  0.192600D+01 -0.122857D+02
      5   0.555504D+01  0.135403D+01  0.204099D+01 -0.176314D+01 -0.186135D+01
      6   0.370597D+01  0.371951D+00  0.353868D+01 -0.365736D+01 -0.905866D+00
               101           102           103           104           105 
      1   0.811533D+01  0.185887D+01  0.301460D+01 -0.288850D+01 -0.394157D+00
      2  -0.118679D+02 -0.515006D+00 -0.575818D+01  0.617695D+01 -0.145357D+00
      3   0.375256D+01 -0.134386D+01  0.274358D+01 -0.328845D+01  0.539514D+00
      4   0.683749D+01 -0.120170D+01  0.693752D+01 -0.672686D+01  0.226257D+00
      5   0.287228D+00 -0.327700D+00  0.643173D+00 -0.249220D+00 -0.167701D+01
      6  -0.185049D+01 -0.336934D+01 -0.101250D+01  0.725130D+00  0.254466D+01
               106           107           108           109           110 
      1  -0.196444D+00  0.238824D+00 -0.130959D+01 -0.175593D+01 -0.253384D+01
      2   0.854575D-02 -0.723357D+00  0.625925D+00  0.193833D+01  0.296247D+01
      3   0.187899D+00  0.484533D+00  0.683668D+00 -0.182400D+00 -0.428628D+00
      4  -0.183029D+01  0.135333D+00 -0.158879D+01  0.304977D+01  0.538164D+01
      5   0.190390D+01 -0.149614D+01 -0.787413D+00  0.234338D+01  0.307649D+01
      6  -0.408102D+00  0.343738D+01 -0.224283D+00  0.409529D+01  0.440056D+01
               111           112           113           114           115 
      1  -0.192696D+01 -0.251488D+01 -0.127265D+02 -0.806722D+01 -0.336364D+01
      2   0.784529D+00  0.289880D+01  0.146653D+02  0.792597D+01  0.160818D+01
      3   0.114243D+01 -0.383920D+00 -0.193881D+01  0.141251D+00  0.175546D+01
      4   0.418878D+01  0.439880D+01  0.378098D+01  0.258074D+01  0.402230D+01
      5   0.399812D+01  0.132117D+01  0.219754D+01  0.159354D+01  0.375226D+01
      6   0.625128D+01  0.334231D+01  0.145566D+02  0.134795D+02  0.631419D+01
               116           117           118           119           120 
      1  -0.124933D+02 -0.129052D+02  0.745492D+01  0.364858D+01 -0.818374D+01
      2   0.101989D+02  0.613571D+01 -0.547473D+01 -0.174015D+01  0.466524D+01
      3   0.229440D+01  0.676948D+01 -0.198018D+01 -0.190843D+01  0.351850D+01
      4   0.415519D+01  0.481064D+01  0.377750D+01  0.434096D+01 -0.204191D+01
      5   0.298200D+01  0.419867D+01 -0.730075D+01 -0.171225D+01  0.119227D+02
      6   0.179585D+02  0.183958D+02 -0.251399D+01 -0.451649D-01  0.524302D+00
               121           122           123           124           125 
      1   0.291256D+01 -0.131893D+01  0.278489D+01 -0.890472D+01  0.108396D+01
      2  -0.235246D+01  0.965854D+00 -0.899623D+00  0.790838D+01  0.182544D+01
      3  -0.560092D+00  0.353072D+00 -0.188527D+01  0.996341D+00 -0.290941D+01
      4   0.607380D+01  0.489249D+01 -0.739032D+01 -0.560620D+01 -0.106842D+02
      5  -0.270889D+01 -0.647839D+01  0.158704D+02  0.165302D+02  0.150846D+02
      6  -0.121225D+01 -0.476011D+01  0.875638D+01  0.432765D+01  0.613026D+01
               126 
      1  -0.186661D+01
      2  -0.111238D+02
      3   0.129904D+02
      4   0.162369D+02
      5  -0.442609D+02
      6  -0.121428D+02
 Leave Link  716 at Fri Aug 13 11:21:45 2021, MaxMem=  5637144576 cpu:               1.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.898067D+02 -0.896782D+00 -0.244506D+01
      2  -0.896782D+00  0.742267D+02 -0.227756D+01
      3  -0.244506D+01 -0.227756D+01  0.635644D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.344764D+01  0.106924D+01 -0.639278D+00
      2   0.132709D+01 -0.794778D+01 -0.296285D+02
      3   0.721061D+01  0.152601D+02  0.648091D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.969170D+02 -0.152358D+02 -0.136148D+02
      2   0.552655D+02  0.103541D+02  0.447015D+01
      3   0.416515D+02  0.488170D+01  0.914465D+01
      4  -0.214527D+02 -0.132846D+02 -0.165024D+02
      5  -0.398312D+01 -0.177977D+02 -0.466482D+02
      6  -0.398886D+01  0.121823D+02  0.728168D+00
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.108466D+02 -0.249806D+01 -0.163135D+01 -0.508902D+01 -0.212578D+01
      2  -0.249806D+01  0.126735D+00  0.193238D+00 -0.212578D+01  0.426563D+01
      3  -0.163135D+01  0.193238D+00 -0.475489D+00 -0.484823D+00 -0.206762D-01
                 6             7             8             9            10 
      1  -0.484823D+00 -0.444323D+01 -0.216148D+00 -0.160289D+01 -0.178604D+02
      2  -0.206762D-01 -0.216148D+00 -0.115042D+01 -0.106556D+01  0.214026D+01
      3  -0.148529D+01 -0.160289D+01 -0.106556D+01  0.477625D+01 -0.315446D+00
                11            12            13            14            15 
      1   0.214026D+01 -0.315446D+00  0.431540D+01 -0.341965D+01 -0.788904D-01
      2  -0.274095D+01 -0.452384D+00 -0.341965D+01  0.304150D+00 -0.960965D+00
      3  -0.452384D+00 -0.116138D+01 -0.788904D-01 -0.960965D+00  0.286636D+01
                16            17            18            19            20 
      1  -0.112238D+01 -0.261596D+00 -0.231263D+01 -0.184686D+01  0.171393D+01
      2  -0.261596D+00 -0.152381D+01  0.263924D+01  0.171393D+01  0.563299D+00
      3  -0.231263D+01  0.263924D+01 -0.738447D+01  0.146479D+01 -0.161666D+00
                21            22            23            24            25 
      1   0.146479D+01  0.540398D+01  0.531799D+00  0.338186D+00  0.506853D+01
      2  -0.161666D+00  0.531799D+00 -0.164718D+01 -0.452345D+00 -0.869929D-01
      3   0.884395D+00  0.338186D+00 -0.452345D+00  0.227083D+01  0.153535D+01
                26            27            28            29            30 
      1  -0.869929D-01  0.153535D+01  0.501923D+01  0.334639D+00 -0.320551D+00
      2  -0.429456D-01  0.278082D+01  0.334639D+00  0.965588D+00  0.499090D-01
      3   0.278082D+01 -0.491961D+01 -0.320551D+00  0.499090D-01 -0.127438D+01
                31            32            33            34            35 
      1  -0.137034D+01  0.181153D+00 -0.674064D+00 -0.541562D+00 -0.659013D+00
      2   0.181153D+00  0.299956D+01 -0.132213D+01 -0.659013D+00 -0.305286D+01
      3  -0.674064D+00 -0.132213D+01 -0.167103D+01 -0.145996D+01 -0.186215D+01
                36            37            38            39            40 
      1  -0.145996D+01  0.247654D+01 -0.147046D+00 -0.100928D+01  0.132684D+01
      2  -0.186215D+01 -0.147046D+00 -0.136382D+01  0.136310D+01 -0.244878D+01
      3  -0.203915D+01 -0.100928D+01  0.136310D+01  0.101602D-01  0.119586D+01
                41            42            43            44            45 
      1  -0.244878D+01  0.119586D+01 -0.113520D+01  0.157680D+01 -0.236646D+00
      2   0.456288D+01 -0.101224D+01  0.157680D+01 -0.111114D+01 -0.393828D+00
      3  -0.101224D+01  0.367236D+00 -0.236646D+00 -0.393828D+00  0.313429D+00
                46            47            48            49            50 
      1   0.454382D+01 -0.393757D+01  0.140015D+01 -0.559133D+01  0.389635D+01
      2  -0.393757D+01  0.308273D+01 -0.960980D+00  0.389635D+01 -0.108254D+02
      3   0.140015D+01 -0.960980D+00  0.103844D+01 -0.655681D+00  0.186314D+01
                51            52            53            54            55 
      1  -0.655681D+00  0.148123D+01 -0.746685D+00  0.195775D+01  0.609121D+01
      2   0.186314D+01 -0.746685D+00  0.136718D+01 -0.281625D+01  0.101766D+01
      3  -0.248181D+01  0.195775D+01 -0.281625D+01  0.223037D+01 -0.238859D+01
                56            57            58            59            60 
      1   0.101766D+01 -0.238859D+01 -0.169180D+01  0.327445D+01  0.546796D+00
      2   0.255691D+01 -0.488557D+00  0.327445D+01 -0.180117D+00 -0.623134D+00
      3  -0.488557D+00  0.140673D+01  0.546796D+00 -0.623134D+00 -0.116946D+00
                61            62            63            64            65 
      1  -0.229547D+01 -0.729537D+00  0.168681D+01 -0.323981D+00 -0.767584D+00
      2  -0.729537D+00 -0.185472D+00  0.124879D+01 -0.767584D+00 -0.329035D+00
      3   0.168681D+01  0.124879D+01 -0.268942D+01  0.990795D+00  0.503389D-01
                66            67            68            69            70 
      1   0.990795D+00 -0.136376D+01 -0.333863D+00  0.830101D-02  0.937609D+00
      2   0.503389D-01 -0.333863D+00 -0.118386D+01  0.149389D+01  0.440672D-01
      3  -0.740631D+00  0.830101D-02  0.149389D+01 -0.166576D+01 -0.200825D+00
                71            72            73            74            75 
      1   0.440672D-01 -0.200825D+00 -0.311693D+00  0.467889D+00 -0.862657D+00
      2   0.192186D+01 -0.168432D+01  0.467889D+00  0.149979D+00 -0.203754D-01
      3  -0.168432D+01  0.698167D+01 -0.862657D+00 -0.203754D-01  0.773567D+00
                76            77            78            79            80 
      1   0.158878D+01  0.544010D+00 -0.172673D+00 -0.186743D+01 -0.129846D+00
      2   0.544010D+00  0.541744D-01 -0.102077D+01 -0.129846D+00 -0.984949D+00
      3  -0.172673D+00 -0.102077D+01  0.131882D+01  0.117678D+01  0.760972D-01
                81            82            83            84            85 
      1   0.117678D+01  0.374319D+00 -0.829233D+00  0.226268D+00 -0.242599D+01
      2   0.760972D-01 -0.829233D+00  0.380167D+00  0.828684D-01  0.165610D+01
      3  -0.742492D+01  0.226268D+00  0.828684D-01  0.207751D+00  0.260976D+00
                86            87            88            89            90 
      1   0.165610D+01  0.260976D+00  0.134905D+01 -0.627872D-01  0.433502D+00
      2  -0.679701D+01 -0.621057D+00 -0.627872D-01  0.415743D+00 -0.784069D+00
      3  -0.621057D+00 -0.804588D+00  0.433502D+00 -0.784069D+00 -0.375802D+00
                91            92            93            94            95 
      1  -0.227245D+01  0.158291D+01  0.100755D+01  0.368712D+01 -0.393251D+00
      2   0.158291D+01 -0.113536D+01 -0.568224D-01 -0.393251D+00  0.386907D+01
      3   0.100755D+01 -0.568224D-01 -0.374308D+00 -0.111598D+01 -0.840381D+00
                96            97            98            99           100 
      1  -0.111598D+01  0.223626D+00 -0.266729D+00  0.254202D+00 -0.633162D+01
      2  -0.840381D+00 -0.266729D+00 -0.819598D+00  0.756226D+00  0.556053D+00
      3   0.145341D+01  0.254202D+00  0.756226D+00 -0.125499D+01 -0.636232D+00
               101           102           103           104           105 
      1   0.556053D+00 -0.636232D+00  0.142590D+01 -0.144167D+01 -0.101584D+00
      2  -0.300882D+01 -0.211076D+00 -0.144167D+01  0.181857D+01  0.339250D-01
      3  -0.211076D+00 -0.618156D+00 -0.101584D+00  0.339250D-01  0.723723D+00
               106           107           108           109           110 
      1  -0.126261D+01 -0.147266D+00 -0.675529D-01  0.947140D+00  0.958571D+00
      2  -0.147266D+00 -0.289324D+00  0.717921D+00  0.958571D+00  0.113613D+01
      3  -0.675529D-01  0.717921D+00 -0.835395D-01  0.717668D+00  0.567354D+00
               111           112           113           114           115 
      1   0.717668D+00  0.845165D+00  0.858803D+00  0.486135D+00  0.108998D+01
      2   0.567354D+00  0.858803D+00  0.367352D+01  0.213672D+01  0.100284D+01
      3   0.145066D+01  0.486135D+00  0.213672D+01  0.227542D+01  0.132308D+01
               116           117           118           119           120 
      1   0.100284D+01  0.132308D+01 -0.135179D+01 -0.592423D+00  0.135688D+01
      2   0.345050D+01  0.312583D+01 -0.592423D+00 -0.383558D+00  0.450489D-01
      3   0.312583D+01  0.355692D+01  0.135688D+01  0.450489D-01 -0.112736D+01
               121           122           123           124           125 
      1  -0.106094D+01 -0.779667D+00  0.447438D+00  0.251787D+01  0.682896D+00
      2  -0.779667D+00 -0.913982D+00  0.134601D+01  0.682896D+00  0.200523D+01
      3   0.447438D+00  0.134601D+01 -0.305038D+01 -0.248698D+01 -0.273876D+01
               126 
      1  -0.248698D+01
      2  -0.273876D+01
      3   0.831326D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.295512D+00  0.340766D-01  0.260129D+00  0.774804D+00 -0.399561D+01
      2   0.487267D+01 -0.155996D+01  0.556257D+00 -0.149893D+00 -0.106967D+01
      3  -0.663455D+01  0.434266D+01  0.221661D+01  0.122557D+02  0.603260D+01
                 6             7             8             9            10 
      1  -0.435028D+01 -0.164027D+01  0.183576D+01  0.475036D+01 -0.755728D+00
      2   0.631096D+00 -0.994642D+01  0.111478D+01 -0.305179D+01 -0.437484D+01
      3   0.157633D+00  0.144458D+01 -0.130184D+01  0.321469D+00  0.137204D+02
                11            12            13            14            15 
      1   0.106551D+01 -0.128751D+01  0.305970D+01 -0.100512D+00 -0.850884D+01
      2   0.124518D+01  0.845111D+01 -0.699879D+00  0.171852D+01 -0.743417D+01
      3  -0.128856D+02 -0.137777D+01  0.760027D+01  0.244266D+01 -0.314929D+01
                16            17            18            19            20 
      1  -0.582266D+00  0.740881D+01 -0.170188D+01  0.220067D+00 -0.433131D-02
      2  -0.996290D+01 -0.824368D+01  0.216166D+02  0.104367D+02  0.236981D+00
      3   0.249286D+00 -0.511200D+01  0.846612D+01 -0.478106D+01 -0.795518D+01
                21            22            23            24            25 
      1  -0.216188D+00 -0.313806D+01 -0.124280D+01  0.751448D+00  0.217411D+00
      2   0.513733D+01 -0.783724D-01 -0.284267D+00 -0.698313D+00 -0.447654D+01
      3  -0.135916D+01  0.246073D+00  0.128055D+01  0.216187D+01 -0.198002D+01
                26            27            28            29            30 
      1   0.334815D+01  0.806962D+00 -0.157260D+00  0.489828D+00  0.222767D+01
      2   0.146509D+01 -0.364649D+01 -0.168950D+01 -0.291250D+00  0.272648D+01
      3   0.123591D+01 -0.410905D+00  0.168692D+02 -0.492789D+01  0.959339D+00
                31            32            33            34            35 
      1   0.182805D+01  0.617644D+01 -0.207324D+01  0.306883D+01  0.803224D+01
      2  -0.281828D+00 -0.471767D+00  0.215064D+00 -0.400611D+01 -0.682381D-01
      3   0.136859D+01 -0.165964D+01 -0.112775D+01  0.115161D+01  0.284233D+00
                36            37            38            39            40 
      1   0.510998D+01  0.113152D+01  0.117241D+01 -0.297736D+01  0.199600D+01
      2  -0.646844D+00 -0.118987D+02  0.118298D+00 -0.421410D+01 -0.442325D+01
      3  -0.328072D+01  0.883261D+01  0.282028D+01 -0.116027D+00  0.614253D+01
                41            42            43            44            45 
      1   0.614702D+01  0.487802D+01 -0.112291D+00  0.548854D+01 -0.638857D+01
      2  -0.996312D+00  0.473345D+01 -0.145108D+02  0.197578D+01  0.602647D+01
      3  -0.135932D+02 -0.121784D+01  0.198386D+01 -0.230539D+01 -0.879783D+00
                46            47            48            49            50 
      1  -0.172782D+00  0.124735D+01  0.403378D+01  0.387273D+00 -0.266682D+01
      2   0.244559D+01 -0.703855D+00  0.666165D+01  0.470998D+01  0.278304D+01
      3   0.340528D+00 -0.831467D+01  0.111614D+01  0.424402D+01  0.217137D+02
                51            52            53            54            55 
      1  -0.930513D+01  0.626725D-02  0.210094D+01  0.250528D+01  0.246221D+01
      2  -0.729625D+01  0.269846D+01 -0.571514D+01  0.311200D+01  0.210197D+01
      3  -0.253612D+01  0.769279D-01 -0.195795D+01  0.548229D+01  0.546443D+01
                56            57            58            59            60 
      1  -0.461424D+01 -0.222972D+01 -0.479667D+01  0.194749D+01 -0.191904D+01
      2  -0.267906D+01  0.717793D+01 -0.731936D+00  0.528814D+00 -0.247724D-01
      3  -0.142961D+02 -0.328647D+00 -0.107976D+02  0.461586D+01  0.345805D+01
                61            62            63            64            65 
      1  -0.119448D+01  0.319908D+01  0.191268D+01 -0.379194D+00 -0.548793D+00
      2   0.446554D+01  0.176939D+01 -0.779358D+01  0.709871D+00  0.279495D+00
      3  -0.208139D+01  0.252503D+01 -0.210096D+01 -0.141149D+00  0.935554D-01
                66            67            68            69            70 
      1  -0.397414D-01  0.293748D+00 -0.140322D+01 -0.199969D+00 -0.429654D-01
      2  -0.169322D+00  0.923129D+00  0.912429D+00 -0.538725D+00 -0.294121D+01
      3   0.339435D+00  0.233150D+01  0.237846D+00 -0.720629D+00 -0.761168D+00
                71            72            73            74            75 
      1   0.324524D+01  0.275862D+00 -0.129852D+01 -0.743195D+00  0.509134D+00
      2  -0.637966D+00  0.275912D+01  0.198944D+01  0.416627D+00  0.250295D+00
      3  -0.254918D+00  0.274335D+00  0.406425D+00 -0.145644D+01  0.304453D+00
                76            77            78            79            80 
      1  -0.830043D+00 -0.792917D+00  0.815748D+00  0.905620D+00  0.258479D+01
      2   0.167366D+01  0.141168D+01 -0.137034D+01 -0.511354D+01 -0.434973D+00
      3   0.330006D+00 -0.520459D-02 -0.742933D+00  0.996690D+00 -0.357771D+00
                81            82            83            84            85 
      1  -0.520813D+01  0.115520D+01 -0.695101D+00  0.711241D+00 -0.162296D+01
      2   0.689979D+01  0.226031D+00 -0.192521D+00  0.139758D+01 -0.151213D+01
      3  -0.611761D+00 -0.378930D+01 -0.112281D+01 -0.602175D+00  0.511619D+01
                86            87            88            89            90 
      1   0.405076D+01 -0.196698D+01  0.872243D+00 -0.256603D+00 -0.853468D-01
      2   0.139266D+01  0.358778D+00 -0.646550D+00  0.126729D+00  0.333986D+00
      3  -0.514447D+01 -0.250085D+00 -0.163981D+01  0.774195D+00 -0.756207D+00
                91            92            93            94            95 
      1  -0.376017D+01  0.406177D+01  0.365149D+00  0.469162D+01 -0.356803D+01
      2  -0.285038D+01  0.215735D+01 -0.167707D+01  0.101585D+01 -0.326367D+01
      3  -0.854393D+01  0.867870D+01  0.162899D+01  0.107215D+02 -0.122238D+02
                96            97            98            99           100 
      1  -0.206982D+01  0.146278D+00  0.663887D+00  0.107677D+01  0.193983D+01
      2   0.274749D+01 -0.174348D+01  0.179975D+01 -0.429914D+00  0.133345D+01
      3  -0.556164D+00  0.143170D+01  0.149279D+00 -0.996287D+00 -0.205814D+02
               101           102           103           104           105 
      1  -0.503314D+00  0.209311D+01 -0.150956D+00  0.782820D+00 -0.113531D+01
      2  -0.504568D+00  0.581372D+00 -0.422170D-01  0.614610D+00 -0.108992D+01
      3  -0.105560D+01 -0.187962D+01  0.331520D+01 -0.215206D+01 -0.661411D+00
               106           107           108           109           110 
      1   0.815524D-01 -0.794227D-01  0.612355D+00 -0.838308D+00 -0.114999D+01
      2  -0.142478D+01 -0.112055D+01 -0.197346D+00 -0.634195D-01  0.348655D+00
      3  -0.370679D+01 -0.747772D+00  0.739586D+00  0.126554D+01  0.780189D+00
               111           112           113           114           115 
      1  -0.334509D+01 -0.730113D+00 -0.301221D+01 -0.492842D+01 -0.227555D+01
      2   0.759057D+00 -0.363186D+00  0.402517D+00  0.732345D+00 -0.140485D+01
      3   0.458213D+00  0.263568D+01  0.609799D-01  0.153527D+00  0.228144D+01
               116           117           118           119           120 
      1  -0.395037D+01 -0.679223D+01  0.157627D+00  0.188018D+00 -0.104609D+00
      2   0.674320D+00  0.113319D+01 -0.445517D+01 -0.996112D-02  0.414562D+01
      3   0.563356D+00  0.169363D+01 -0.198932D+01 -0.181771D+01 -0.219684D+00
               121           122           123           124           125 
      1  -0.546079D+00 -0.118383D+01 -0.177238D+01  0.111220D+00  0.349561D+01
      2  -0.399203D-01 -0.367858D+01  0.903428D+01  0.413314D+01  0.774039D+01
      3  -0.629688D+00 -0.205160D+01  0.381285D+01  0.553086D+00  0.650563D+01
               126 
      1   0.198583D+01
      2  -0.248969D+02
      3  -0.794080D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.506684D+02  0.690606D+01  0.336815D+01  0.112205D+02  0.146230D+02
      2   0.251604D+02 -0.313248D+01 -0.302647D+01 -0.365087D+01 -0.157151D+02
      3   0.255080D+02 -0.377357D+01 -0.341679D+00 -0.756964D+01  0.109211D+01
      4   0.178248D+01 -0.919845D+01 -0.905679D+00  0.101677D+02 -0.385262D+01
      5   0.464715D+00 -0.155954D+01 -0.598627D+01  0.134935D+01 -0.784746D+00
      6   0.315852D+01  0.353971D+00 -0.713474D-01  0.574379D-01 -0.153335D+00
                 6             7             8             9            10 
      1  -0.395206D+00  0.108105D+02  0.199356D-01  0.109064D+02  0.105062D+03
      2  -0.259166D+01 -0.688210D+01 -0.865950D+00  0.244108D+01 -0.519835D+02
      3   0.298686D+01 -0.392842D+01  0.846014D+00 -0.133475D+02 -0.530788D+02
      4  -0.513336D+00  0.463334D+01  0.321875D+01  0.228291D+01 -0.220317D+00
      5   0.787484D+00  0.355996D+01  0.762067D-01 -0.331014D+01  0.549279D+01
      6   0.328132D+01  0.953509D+00  0.143979D+01 -0.167683D+01  0.582400D+00
                11            12            13            14            15 
      1  -0.995626D+01  0.246229D+01 -0.196373D+02  0.213928D+01 -0.320159D+01
      2   0.702796D+01 -0.211717D+01  0.158560D+02  0.166365D+02  0.149659D+01
      3   0.292831D+01 -0.345119D+00  0.378137D+01 -0.187758D+02  0.170500D+01
      4   0.290573D+02  0.412849D+01  0.323580D+02  0.427140D+01  0.668375D+01
      5   0.365100D+01  0.167916D+02  0.903633D+00  0.679886D+01 -0.136071D+02
      6   0.717546D+00  0.623428D+00  0.224731D+01  0.365374D+01  0.105104D+02
                16            17            18            19            20 
      1   0.115665D+01 -0.212273D+01  0.349744D+01 -0.126183D+01  0.177483D+01
      2  -0.474614D+01 -0.160696D+01 -0.106424D+02  0.276098D+01  0.887022D+00
      3   0.358949D+01  0.372968D+01  0.714493D+01 -0.149915D+01 -0.266186D+01
      4   0.318249D+01  0.844389D+01 -0.130445D+02  0.280965D+00  0.548474D+01
      5   0.245111D+02 -0.131650D+02  0.402194D+02  0.519006D+01 -0.605946D+00
      6  -0.132353D+00  0.130093D+02  0.106848D+02  0.100975D+01 -0.135815D+01
                21            22            23            24            25 
      1   0.497645D+00 -0.328335D+01  0.406296D+01 -0.507119D+01 -0.853967D+01
      2  -0.192258D+01  0.228073D+01 -0.341768D+01 -0.281926D+01  0.314601D+01
      3   0.142494D+01  0.100262D+01 -0.645278D+00  0.789045D+01  0.539366D+01
      4  -0.174287D+01 -0.701140D+01 -0.607748D+01  0.809804D-01 -0.508893D+01
      5   0.417211D+01  0.415934D+00  0.482301D+00 -0.838752D+00  0.564208D+00
      6  -0.781874D-01  0.146135D+01  0.630394D+00 -0.725377D+01 -0.103974D+01
                26            27            28            29            30 
      1  -0.537524D+01  0.423670D+01  0.414128D+01 -0.257825D+01 -0.176495D+01
      2  -0.203856D+01  0.103289D+02 -0.422835D+01  0.419388D+01  0.206294D+01
      3   0.741380D+01 -0.145656D+02  0.870733D-01 -0.161564D+01 -0.297993D+00
      4  -0.365928D+01  0.533218D-02  0.790893D+01 -0.291548D+01 -0.142797D+01
      5   0.968677D+00 -0.143499D+01 -0.131342D+01 -0.167996D+01  0.427563D+01
      6   0.905803D+00  0.389179D+01 -0.870733D+00 -0.865014D+00 -0.535890D+01
                31            32            33            34            35 
      1   0.175145D+01 -0.126835D+02  0.668694D+01  0.194571D+01  0.875885D+01
      2   0.550251D+00  0.215028D+02 -0.529077D+01  0.295109D-01 -0.888004D+01
      3  -0.230170D+01 -0.881923D+01 -0.139617D+01 -0.197522D+01  0.121196D+00
      4   0.232429D+01  0.444115D+01 -0.283056D+01 -0.100391D+01 -0.243533D+01
      5  -0.156457D+01 -0.167780D+01 -0.883658D+00  0.212280D+01 -0.111100D+01
      6  -0.478824D+01 -0.892374D+01  0.352443D+00 -0.618592D+01 -0.677064D+01
                36            37            38            39            40 
      1   0.373557D+01 -0.518553D+01 -0.804044D+01 -0.133515D+01  0.788337D+01
      2  -0.735369D+01 -0.499444D+00  0.996661D+01 -0.341806D+01 -0.164495D+01
      3   0.361812D+01  0.568497D+01 -0.192617D+01  0.475321D+01 -0.623842D+01
      4  -0.376330D+01  0.486162D+01 -0.171907D+02  0.567467D+01 -0.241436D+02
      5  -0.302995D+01 -0.349216D+01  0.709626D+01 -0.952674D+01  0.131593D+02
      6  -0.117041D+02  0.594614D+00  0.496656D-01  0.370827D+01 -0.666219D+00
                41            42            43            44            45 
      1   0.848227D+00  0.681285D+00  0.113908D+01  0.541941D+01 -0.287017D+01
      2  -0.137211D+02 -0.566129D+01 -0.260627D+01  0.168435D+01 -0.172400D+01
      3   0.128728D+02  0.498000D+01  0.146719D+01 -0.710377D+01  0.459417D+01
      4   0.271351D+02 -0.438221D+01  0.130705D+02  0.181548D+01  0.249199D+01
      5  -0.550288D+01  0.845993D+01 -0.253065D+01  0.166845D+01  0.522971D+01
      6   0.489753D+01 -0.830214D+01  0.121780D+01  0.259093D+01  0.497247D+01
                46            47            48            49            50 
      1   0.255527D+02 -0.984161D+01  0.392094D+01 -0.131943D+02 -0.112719D+02
      2  -0.889130D+01 -0.194088D+01 -0.262999D+01 -0.674912D+00  0.331483D+02
      3  -0.166614D+02  0.117825D+02 -0.129095D+01  0.138692D+02 -0.218764D+02
      4  -0.263106D+02  0.276434D+02 -0.600629D+01  0.325851D+02 -0.532555D+02
      5   0.102317D+02 -0.669356D+01  0.136447D+02 -0.736945D+01  0.108679D+02
      6  -0.269461D+01  0.198816D+01 -0.561019D+01  0.414036D+01 -0.601124D+01
                51            52            53            54            55 
      1   0.226630D+01  0.368105D+01  0.122682D+01 -0.160179D+01  0.393570D+02
      2  -0.690239D+00 -0.193125D+01 -0.153423D+01 -0.111279D+01 -0.234817D+02
      3  -0.157606D+01 -0.174980D+01  0.307404D+00  0.271458D+01 -0.158753D+02
      4   0.867934D+01 -0.624567D+01  0.584185D+01 -0.139579D+02  0.163478D+02
      5  -0.153984D+02  0.150284D+02 -0.139378D+02  0.110353D+02 -0.136270D+02
      6   0.138839D+02 -0.652138D+01  0.121337D+02 -0.610581D+01 -0.280539D+01
                56            57            58            59            60 
      1   0.442227D+01 -0.715631D+01 -0.610844D+01  0.943523D+01  0.288919D+01
      2   0.251126D+00  0.870022D+01  0.709147D+01 -0.161900D+01 -0.772177D+00
      3  -0.467339D+01 -0.154391D+01 -0.983032D+00 -0.781623D+01 -0.211702D+01
      4   0.191713D+02 -0.509403D+01  0.176922D+02  0.666359D+01 -0.223983D+01
      5  -0.411387D+01  0.160446D+02 -0.861058D+00 -0.398676D+01  0.101800D+01
      6  -0.189249D+01  0.395831D+01 -0.602598D+00 -0.197147D+01  0.666939D+01
                61            62            63            64            65 
      1  -0.334430D+01 -0.109205D+01  0.148549D+01 -0.390325D+00 -0.226715D+00
      2   0.424671D+01  0.109908D+01 -0.108237D+02 -0.362659D+01 -0.660735D+00
      3  -0.902412D+00 -0.703530D-02  0.933819D+01  0.401692D+01  0.887450D+00
      4  -0.596003D+01 -0.532933D+01  0.667906D+01  0.809756D-01  0.903288D+00
      5   0.155958D+02  0.617258D+01 -0.172571D+02 -0.109111D+01 -0.121686D+01
      6   0.226657D+01  0.572221D+01 -0.380286D+01 -0.156494D+01 -0.534181D+00
                66            67            68            69            70 
      1   0.951149D+00 -0.284816D-01 -0.447141D+01  0.395532D+01  0.166651D+01
      2   0.109762D+01 -0.101571D+01 -0.612867D+00  0.214646D+01  0.397099D+00
      3  -0.204876D+01  0.104419D+01  0.508428D+01 -0.610178D+01 -0.206361D+01
      4  -0.657658D+00  0.280293D+01  0.507806D+00  0.104028D+00 -0.579094D+00
      5   0.472569D+01 -0.143507D+01  0.161354D-01  0.127299D+00  0.422685D+01
      6   0.143368D+00 -0.724900D+00 -0.436179D+01  0.759378D+01  0.564475D+00
                71            72            73            74            75 
      1   0.321835D+01 -0.174596D+02  0.318386D+01 -0.868783D+00  0.234966D+01
      2   0.402770D+01 -0.136779D+02 -0.461235D+01  0.632844D-01  0.577751D+00
      3  -0.724605D+01  0.311375D+02  0.142850D+01  0.805498D+00 -0.292741D+01
      4   0.852990D+00 -0.435262D+00 -0.273728D+00  0.132341D+01  0.766463D+00
      5  -0.416495D+00  0.146336D+01 -0.931327D+00  0.987871D-01  0.547936D+01
      6   0.546065D+01 -0.606889D+01 -0.184210D+00 -0.531324D+00 -0.246611D+00
                76            77            78            79            80 
      1  -0.358474D+01 -0.467667D+01  0.248886D+01  0.599631D+01  0.127998D+00
      2   0.124212D+01  0.178516D+01  0.171354D+01 -0.330208D+00  0.116443D+01
      3   0.234262D+01  0.289151D+01 -0.420240D+01 -0.566610D+01 -0.129242D+01
      4  -0.531578D+00 -0.534486D+00  0.137957D+01  0.165525D+01  0.971591D+00
      5   0.812887D-01  0.113190D+01 -0.140855D+01  0.241749D+01 -0.941960D-01
      6  -0.616436D+00 -0.599984D+00  0.415254D+01 -0.882603D+00  0.383483D+01
                81            82            83            84            85 
      1  -0.206558D+02  0.203803D+01  0.256404D+01 -0.160453D+00  0.100100D+02
      2  -0.913949D+01  0.180536D+01 -0.307941D+01  0.567136D+00 -0.916704D+01
      3   0.297953D+02 -0.384339D+01  0.515372D+00 -0.406683D+00 -0.842980D+00
      4  -0.158213D+01 -0.109252D+01  0.647414D+01  0.534871D+00  0.214607D+01
      5   0.715557D+01 -0.383931D+00  0.967555D+00  0.211941D+01  0.377193D+00
      6   0.434113D+01  0.984431D-03 -0.400909D+00 -0.542336D+00 -0.116111D+01
                86            87            88            89            90 
      1  -0.221944D+02 -0.271379D+01 -0.245936D+01  0.314915D+00 -0.464981D+01
      2   0.299368D+02  0.199423D+01  0.219658D+01 -0.100470D+01  0.246133D+01
      3  -0.774241D+01  0.719554D+00  0.262788D+00  0.689781D+00  0.218848D+01
      4   0.447390D+01 -0.341801D-01 -0.688345D-01 -0.115028D+01 -0.609907D-01
      5  -0.126132D+00  0.401803D+00  0.770394D+00  0.330347D+00  0.964870D-01
      6   0.448032D+01  0.419000D+01 -0.174283D+01  0.483531D+01  0.819382D+00
                91            92            93            94            95 
      1  -0.126767D+02  0.541909D+01  0.185879D+01  0.121569D+02 -0.836127D+01
      2   0.993441D+01 -0.233295D+01 -0.319612D+01 -0.685091D+01  0.923697D+01
      3   0.274234D+01 -0.308614D+01  0.133733D+01 -0.530596D+01 -0.875703D+00
      4   0.119601D+01 -0.308640D+01  0.150725D+01  0.400690D+01  0.133837D+02
      5   0.383334D+01  0.127114D+00 -0.376893D+01 -0.431199D+01 -0.268871D+01
      6   0.209819D+01 -0.321792D-01  0.679498D-01 -0.290957D+01 -0.443960D+01
                96            97            98            99           100 
      1  -0.391271D+00  0.204236D+01  0.219261D+01 -0.291923D+01  0.489090D+01
      2   0.556823D+00 -0.141501D+01 -0.182772D+01  0.122856D+01  0.132745D+01
      3  -0.165552D+00 -0.627349D+00 -0.364882D+00  0.169066D+01 -0.621835D+01
      4  -0.478927D+01 -0.180902D+00 -0.217665D+01  0.192600D+01 -0.122857D+02
      5   0.555504D+01  0.135403D+01  0.204099D+01 -0.176314D+01 -0.186135D+01
      6   0.370597D+01  0.371951D+00  0.353868D+01 -0.365736D+01 -0.905866D+00
               101           102           103           104           105 
      1   0.811533D+01  0.185887D+01  0.301460D+01 -0.288850D+01 -0.394157D+00
      2  -0.118679D+02 -0.515006D+00 -0.575818D+01  0.617695D+01 -0.145357D+00
      3   0.375256D+01 -0.134386D+01  0.274358D+01 -0.328845D+01  0.539514D+00
      4   0.683749D+01 -0.120170D+01  0.693752D+01 -0.672686D+01  0.226257D+00
      5   0.287228D+00 -0.327700D+00  0.643173D+00 -0.249220D+00 -0.167701D+01
      6  -0.185049D+01 -0.336934D+01 -0.101250D+01  0.725130D+00  0.254466D+01
               106           107           108           109           110 
      1  -0.196444D+00  0.238824D+00 -0.130959D+01 -0.175593D+01 -0.253384D+01
      2   0.854575D-02 -0.723357D+00  0.625925D+00  0.193833D+01  0.296247D+01
      3   0.187899D+00  0.484533D+00  0.683668D+00 -0.182400D+00 -0.428628D+00
      4  -0.183029D+01  0.135333D+00 -0.158879D+01  0.304977D+01  0.538164D+01
      5   0.190390D+01 -0.149614D+01 -0.787413D+00  0.234338D+01  0.307649D+01
      6  -0.408102D+00  0.343738D+01 -0.224283D+00  0.409529D+01  0.440056D+01
               111           112           113           114           115 
      1  -0.192696D+01 -0.251488D+01 -0.127265D+02 -0.806722D+01 -0.336364D+01
      2   0.784529D+00  0.289880D+01  0.146653D+02  0.792597D+01  0.160818D+01
      3   0.114243D+01 -0.383920D+00 -0.193881D+01  0.141251D+00  0.175546D+01
      4   0.418878D+01  0.439880D+01  0.378098D+01  0.258074D+01  0.402230D+01
      5   0.399812D+01  0.132117D+01  0.219754D+01  0.159354D+01  0.375226D+01
      6   0.625128D+01  0.334231D+01  0.145566D+02  0.134795D+02  0.631419D+01
               116           117           118           119           120 
      1  -0.124933D+02 -0.129052D+02  0.745492D+01  0.364858D+01 -0.818374D+01
      2   0.101989D+02  0.613571D+01 -0.547473D+01 -0.174015D+01  0.466524D+01
      3   0.229440D+01  0.676948D+01 -0.198018D+01 -0.190843D+01  0.351850D+01
      4   0.415519D+01  0.481064D+01  0.377750D+01  0.434096D+01 -0.204191D+01
      5   0.298200D+01  0.419867D+01 -0.730075D+01 -0.171225D+01  0.119227D+02
      6   0.179585D+02  0.183958D+02 -0.251399D+01 -0.451649D-01  0.524302D+00
               121           122           123           124           125 
      1   0.291256D+01 -0.131893D+01  0.278489D+01 -0.890472D+01  0.108396D+01
      2  -0.235246D+01  0.965854D+00 -0.899623D+00  0.790838D+01  0.182544D+01
      3  -0.560092D+00  0.353072D+00 -0.188527D+01  0.996341D+00 -0.290941D+01
      4   0.607380D+01  0.489249D+01 -0.739032D+01 -0.560620D+01 -0.106842D+02
      5  -0.270889D+01 -0.647839D+01  0.158704D+02  0.165302D+02  0.150846D+02
      6  -0.121225D+01 -0.476011D+01  0.875638D+01  0.432765D+01  0.613026D+01
               126 
      1  -0.186661D+01
      2  -0.111238D+02
      3   0.129904D+02
      4   0.162369D+02
      5  -0.442609D+02
      6  -0.121428D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.162772D+01      0.413726D+01      0.138004D+02
   x         -0.115728D+01     -0.294151D+01     -0.981183D+01
   y          0.102436D+01      0.260366D+01      0.868487D+01
   z          0.510759D+00      0.129822D+01      0.433040D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.694050D+02      0.102848D+02      0.114433D+02
   aniso      0.243030D+02      0.360134D+01      0.400703D+01
   xx         0.839122D+02      0.124345D+02      0.138353D+02
   yx        -0.122661D+01     -0.181765D+00     -0.202241D+00
   yy         0.670541D+02      0.993639D+01      0.110557D+02
   zx        -0.245924D+01     -0.364421D+00     -0.405473D+00
   zy        -0.272874D+01     -0.404357D+00     -0.449908D+00
   zz         0.572487D+02      0.848339D+01      0.943904D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.758659D+02      0.112422D+02      0.125086D+02
   aniso      0.236316D+02      0.350184D+01      0.389632D+01
   xx         0.898067D+02      0.133080D+02      0.148071D+02
   yx        -0.896782D+00     -0.132889D+00     -0.147859D+00
   yy         0.742267D+02      0.109993D+02      0.122383D+02
   zx        -0.244506D+01     -0.362320D+00     -0.403136D+00
   zy        -0.227756D+01     -0.337500D+00     -0.375519D+00
   zz         0.635644D+02      0.941927D+01      0.104803D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.82992681         -0.76321035          0.06740847
    16         -3.19830674         -1.68851327          3.09337043
     6          1.01385873         -0.22063970          0.15831466
     7          1.57252553          1.81703023          1.93569086
     6          1.81414202          0.55229128         -2.52782806
     8          2.02784664         -0.94053087         -4.22122406
     8          2.15749463          3.04063192         -2.81271482
     1          2.00495558         -1.98395808          0.58473396
     1         -2.85410976          0.94613451         -0.46535396
     1         -2.20712236         -2.19930519         -1.35140168
     1          1.90825187          3.77108735         -1.12054047
     1          0.38983530          1.72216218          3.44292101
     1          3.36312192          1.69268140          2.60003611
     1         -1.91088265         -3.86324867          3.34998210

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.162772D+01      0.413726D+01      0.138004D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.162772D+01      0.413726D+01      0.138004D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.694050D+02      0.102848D+02      0.114433D+02
   aniso      0.243030D+02      0.360134D+01      0.400703D+01
   xx         0.644917D+02      0.955669D+01      0.106332D+02
   yx         0.683641D+01      0.101305D+01      0.112717D+01
   yy         0.679957D+02      0.100759D+02      0.112110D+02
   zx        -0.104838D+02     -0.155354D+01     -0.172854D+01
   zy        -0.267999D+01     -0.397134D+00     -0.441871D+00
   zz         0.757276D+02      0.112217D+02      0.124858D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.758659D+02      0.112422D+02      0.125086D+02
   aniso      0.236316D+02      0.350184D+01      0.389632D+01
   xx         0.711165D+02      0.105384D+02      0.117255D+02
   yx         0.725739D+01      0.107543D+01      0.119658D+01
   yy         0.744349D+02      0.110301D+02      0.122727D+02
   zx        -0.982241D+01     -0.145553D+01     -0.161950D+01
   zy        -0.236633D+01     -0.350654D+00     -0.390155D+00
   zz         0.820464D+02      0.121580D+02      0.135276D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-K14-01-01\Freq\RM11\Gen\C3H7N1O2S1\PIERPA\13-Aug-2021\0\\
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,-0.758678,-0
 .589468,-0.423124\S,-2.509414,-0.170412,-0.127352\C,0.230755,0.15388,0
 .481215\N,0.11116,1.599705,0.307949\C,1.641223,-0.310717,0.078875\O,2.
 078876,-1.387971,0.375233\O,2.308644,0.576119,-0.66792\H,0.075206,-0.1
 77318,1.51213\H,-0.583618,-0.319599,-1.466171\H,-0.60649,-1.660802,-0.
 32238\H,1.722486,1.364748,-0.723967\H,-0.858059,1.853431,0.144847\H,0.
 421765,2.097683,1.133359\H,-2.578746,-0.656838,1.123866\\Version=ES64L
 -G16RevA.03\State=1-A\HF=-722.1274507\RMSD=4.920e-09\RMSF=1.430e-05\Ze
 roPoint=0.1083723\Thermal=0.116278\Dipole=-1.1572807,1.0243581,0.51075
 94\DipoleDeriv=0.4974616,-0.0067969,0.0038446,0.1040248,-0.0194313,-0.
 0143628,-0.0406094,0.0252199,0.0462993,-0.2199663,-0.0838463,0.0221934
 ,-0.1210041,-0.1483963,-0.0756318,0.0795142,-0.088381,-0.0022637,-0.27
 98086,-0.0501754,0.0346497,0.0362113,0.4760448,-0.0429231,0.0242867,0.
 0127699,0.1940932,-0.5367232,-0.0375379,0.0823808,-0.0062575,-0.665007
 5,0.0579146,0.0852314,0.0493238,-0.3344209,1.2168982,-0.0408872,-0.252
 5311,-0.3367693,1.4372516,-0.543176,-0.3885547,-0.5907211,0.5806064,-0
 .7372603,0.3170351,-0.0482693,0.2962228,-1.0102774,0.2346852,0.0332988
 ,0.1661629,-0.4479554,-0.7711864,-0.2872692,0.276886,-0.0320594,-0.899
 0572,0.2526607,0.2693774,0.4267398,-0.5637269,0.0351481,0.002971,0.027
 5421,-0.0058004,-0.0601711,0.0488286,0.0249402,0.064023,-0.0805164,-0.
 0159071,-0.0144028,0.042471,0.0030382,0.0735748,0.0483666,0.0044592,0.
 0127152,-0.0351578,-0.0491111,0.0492014,0.0095396,0.0225417,-0.0146225
 ,-0.0095487,-0.0025725,0.0045861,0.0767805,0.4963728,-0.0719625,-0.093
 7083,-0.0691608,0.3580389,0.0187133,-0.1102148,0.0023135,0.299345,0.15
 23317,0.1280146,0.0000019,0.0496965,0.2275678,-0.0225874,0.0599773,-0.
 0580627,0.1882386,0.1994616,0.0380656,-0.0329692,0.0203384,0.1634007,-
 0.0121286,-0.0611946,-0.0718989,0.1035033,0.0122888,0.0575903,-0.07203
 12,0.038978,0.0810846,0.0591894,0.0220607,0.0452098,-0.0248253\Polar=8
 3.9122357,-1.2266127,67.0540663,-2.459235,-2.7287362,57.2487413\Quadru
 pole=-6.9390076,2.1252506,4.8137569,4.1229591,-1.1281089,1.6294308\PG=
 C01 [X(C3H7N1O2S1)]\NImag=0\\0.33561240,-0.00845525,0.54848662,0.00032
 758,-0.05834757,0.51805919,-0.11072767,0.03511086,-0.00851371,0.194714
 79,0.02463541,-0.04461572,0.01094564,-0.04130208,0.08275864,0.01658555
 ,0.00072915,-0.04733214,-0.01364892,-0.09188762,0.27115088,-0.09527296
 ,-0.02048774,-0.03514085,-0.03691736,-0.00583293,-0.01134579,0.4319570
 6,-0.03056977,-0.09569331,-0.02685229,0.00184564,0.00089130,0.00472542
 ,-0.00388828,0.48897200,-0.04232859,-0.01917867,-0.11425689,0.00365376
 ,0.00088555,0.00230772,-0.02475329,-0.05234262,0.56945205,0.00228512,-
 0.02479657,0.00262673,-0.00290082,-0.00594310,-0.00084826,-0.08622392,
 0.02422805,-0.01821312,0.56361526,-0.00192007,-0.02930878,-0.00182490,
 0.00143171,0.00014404,0.00004958,-0.00410179,-0.19482779,0.03462448,-0
 .07106630,0.48288618,0.00256087,-0.02532617,0.00280285,0.00008078,0.00
 039722,0.00221593,-0.01675586,-0.00089780,-0.08528774,0.19056072,0.141
 31050,0.41113605,-0.03790483,-0.00647963,-0.00446991,0.00186516,0.0002
 4058,-0.00094584,-0.13262385,0.02243647,0.02079183,-0.00738103,0.00696
 578,0.00376288,0.53974942,-0.00777270,0.00919408,0.00941802,-0.0058224
 4,-0.00250794,-0.00222159,-0.00373419,-0.07175198,-0.01176600,0.024846
 65,-0.02331309,0.00245894,-0.19942782,0.89311124,-0.01656191,0.0076083
 7,0.00811112,-0.00643422,-0.00024502,-0.00159542,0.02052619,-0.0133398
 4,-0.09638171,0.00260732,-0.00135377,-0.00121499,-0.04806637,-0.216908
 78,0.35179986,0.00231916,0.00214615,0.00087105,-0.00054889,-0.00029410
 ,-0.00022852,-0.00711904,0.03566386,-0.00526905,-0.00759121,0.00469809
 ,-0.00136731,-0.20710998,0.23115735,-0.04579467,0.18922350,-0.00266034
 ,-0.00517525,-0.00351508,0.00169343,0.00167538,0.00065567,0.02206430,-
 0.01767830,0.01215726,0.00851295,-0.00147672,-0.00159906,0.23982688,-0
 .60244046,0.13391339,-0.25887384,0.70354999,0.00203261,-0.00136157,-0.
 00029145,0.00094586,0.00005553,0.00031062,0.00391343,0.00083256,0.0162
 5028,-0.00098030,-0.00005956,0.00260180,-0.04977911,0.13743997,-0.1170
 9105,0.04751700,-0.19314221,0.10087716,0.00191466,0.00159331,0.0027605
 1,-0.00176378,-0.00057114,-0.00074788,-0.02048609,-0.01960678,0.030328
 78,-0.01088727,0.00478219,0.00472951,-0.18198138,-0.02500219,0.0729707
 8,0.03521247,-0.00181875,-0.00962277,0.37020129,0.00188763,0.00073881,
 0.00007160,-0.00016141,0.00096552,0.00016190,-0.00145259,-0.00431823,0
 .01013913,0.01945399,-0.00085371,-0.00680643,-0.06972941,-0.14721922,0
 .07734827,-0.01757077,-0.08303983,0.05435176,-0.12455568,0.49658767,0.
 00146332,-0.00254150,-0.00476693,0.00270551,0.00033421,0.00108606,0.02
 032216,0.01797942,0.00400229,0.00168096,0.00020034,0.00393954,0.094056
 71,0.05581161,-0.12737198,-0.00213702,0.04664839,-0.00623666,-0.113049
 09,-0.14510883,0.15824934,0.00084165,0.00448412,-0.02309935,0.00205729
 ,0.00044858,-0.00080155,-0.05305918,-0.00749056,0.03880526,0.00240495,
 0.00231574,-0.00514547,-0.00517351,-0.00780468,0.03342501,0.00049471,-
 0.00058798,-0.00380099,-0.00649797,-0.00069274,0.00023423,0.06016814,0
 .00101546,0.00435162,-0.01675483,0.00127684,-0.00002922,-0.00003150,-0
 .00934419,-0.06535052,0.06480624,-0.00387992,-0.02418585,0.03130182,-0
 .00117577,0.00215790,-0.00550476,0.00062978,0.00029966,-0.00014524,0.0
 0137233,0.00202922,-0.00060492,0.01099449,0.08161526,0.00150671,0.0030
 2746,-0.02088023,0.00098393,-0.00009029,0.00133736,0.03780688,0.064144
 69,-0.27527211,0.00011840,0.00395008,0.00304803,0.00078867,0.00535139,
 -0.01036914,-0.00029622,-0.00139894,0.00243978,0.00154032,-0.00088948,
 0.00027352,-0.03811947,-0.07252643,0.29740017,-0.04975905,-0.01234282,
 0.04374099,-0.00806787,-0.00656201,0.02509227,0.00176967,0.00583438,-0
 .02242955,0.00060000,0.00069989,0.00140989,0.00234181,0.00047130,-0.00
 212699,-0.00058579,0.00022342,0.00041790,-0.00032668,-0.00019305,0.000
 83975,-0.00239689,-0.00279887,-0.00255595,0.06231554,-0.01184836,-0.06
 540654,0.06451301,0.00220152,0.00152762,-0.00661619,0.00179811,0.00344
 684,-0.01655360,0.00070141,0.00150874,0.00048656,0.00075840,0.00093538
 ,0.00026788,0.00032486,-0.00026655,-0.00009847,0.00015744,-0.00032122,
 0.00003927,-0.00213338,-0.00097534,-0.00198837,0.01240643,0.06545916,0
 .03913057,0.06508746,-0.28677330,0.00352690,0.00032141,-0.00385435,0.0
 0027206,0.00540834,-0.02053276,0.00087255,0.00036971,0.00190306,0.0017
 5775,0.00036176,-0.00095821,-0.00057102,0.00010732,0.00028770,-0.00055
 070,-0.00047930,0.00098440,-0.00291227,-0.00218354,-0.00075646,-0.0415
 5450,-0.06890695,0.31062690,-0.04354309,0.04031577,-0.00512840,-0.0171
 5281,0.02490767,-0.00047521,0.00274930,-0.01942447,0.00366634,-0.00298
 982,-0.00245518,-0.00371469,0.00100255,-0.00354726,0.00085919,-0.00032
 595,0.00149966,0.00006578,-0.00041300,0.00078484,-0.00056693,0.0006267
 5,0.00043209,-0.00003405,0.00122270,-0.00608597,0.00002665,0.05712912,
 0.03085662,-0.31792024,0.02787659,0.00257330,0.00055279,0.00010757,0.0
 0066903,-0.01504592,0.00295235,-0.00206760,-0.00019669,-0.00299714,0.0
 0097214,-0.00268852,0.00051940,0.00060935,0.00185489,0.00015150,-0.000
 19478,0.00068008,-0.00022229,0.00025877,0.00071261,-0.00026851,0.00040
 219,-0.00584085,0.00070593,-0.03422384,0.33813818,-0.00636996,0.028571
 84,-0.05147456,0.00513634,-0.00539588,0.00080762,0.00149484,-0.0208553
 9,0.00192350,-0.00300519,-0.00165617,-0.00231400,0.00060758,-0.0008914
 1,0.00065265,0.00031300,0.00054476,-0.00048175,0.00003281,0.00039260,0
 .00005318,0.00089556,0.00020163,0.00046731,-0.00447128,0.03003321,-0.0
 0190051,0.00601776,-0.02888038,0.05222852,-0.00079219,0.00088091,0.000
 39917,-0.00032765,0.00047402,-0.00000379,-0.00492657,-0.01031157,0.005
 09787,0.00508996,-0.00257189,-0.00382078,0.02517917,-0.00559410,-0.010
 71946,-0.00311972,-0.01018696,0.00949887,-0.18303003,0.19303453,-0.005
 05723,-0.00001396,0.00163300,-0.00055402,-0.00000713,-0.00043480,-0.00
 030966,0.00057027,0.00037250,0.00006407,0.16008491,-0.00045825,-0.0010
 7000,-0.00004623,0.00049594,-0.00011009,-0.00005816,-0.00145231,0.0035
 7442,0.00125301,-0.00519141,-0.00390107,0.00032903,0.01051719,-0.04857
 886,0.01521398,-0.00195188,0.00453077,0.00216400,0.16448042,-0.2679022
 3,0.02769861,0.00098347,-0.00191993,-0.00019504,-0.00038587,0.00002204
 ,-0.00019505,-0.00008408,-0.00012018,-0.00012551,-0.16902902,0.3164878
 4,-0.00000472,-0.00008228,0.00109753,-0.00055017,-0.00042211,-0.000335
 63,0.00222747,0.00432787,-0.00352319,-0.00669038,-0.00004501,-0.005779
 84,-0.01986812,0.02253957,-0.00395073,0.00626879,0.00679814,0.00087212
 ,0.00775846,0.01405457,-0.03028860,0.00018526,-0.00045668,0.00027183,-
 0.00032884,-0.00009602,-0.00026970,-0.00016609,-0.00014261,-0.00020506
 ,0.00918673,-0.04549964,0.04157133,0.00034144,-0.00225787,-0.00093179,
 0.00090000,-0.00022228,-0.00087916,-0.00205849,0.00278587,0.00483793,-
 0.38245613,0.09357239,-0.08230646,0.00033616,-0.00028404,-0.00099803,-
 0.00019130,0.00061321,-0.00007370,0.00021015,-0.00022907,0.00059736,0.
 00011155,-0.00144198,0.00019743,-0.00015211,0.00038245,0.00017311,-0.0
 0066642,-0.00014661,0.00008677,-0.00094679,0.00079236,-0.00090917,0.39
 565584,0.00213394,0.00002960,-0.00040166,-0.00058509,0.00072776,-0.000
 18272,0.03777240,-0.01309381,0.00488797,0.07687121,-0.07334652,0.00101
 257,-0.00381342,-0.00616890,0.00299427,0.00304870,-0.00143669,-0.00063
 185,-0.00045651,0.00239509,0.00017496,0.00025163,-0.00116057,0.0003134
 6,-0.00015528,-0.00013446,-0.00037897,0.00030853,0.00032951,0.00023188
 ,0.00089216,-0.00121062,-0.00135532,-0.09648333,0.08713033,0.00054298,
 -0.00211241,0.00142382,-0.00067062,-0.00143345,-0.00175516,-0.00374817
 ,0.00673995,-0.00387198,-0.04230260,-0.00623159,-0.03476135,0.00207876
 ,0.00045212,-0.00216106,0.00061935,-0.00165017,0.00083779,0.00249151,-
 0.00405711,-0.00057007,-0.00049845,0.00116390,-0.00005208,0.00030387,-
 0.00035312,-0.00046732,-0.00002794,0.00009449,-0.00052700,-0.00289143,
 0.00113064,0.00330793,0.07718860,-0.00416804,0.04619651,-0.00090344,-0
 .00060041,-0.00015445,0.00039196,-0.00033131,0.00032387,-0.00005863,-0
 .00067095,0.00454305,-0.07346104,-0.03235783,-0.08940819,0.00164872,0.
 00212559,-0.00009250,-0.00075002,-0.00020089,0.00001735,-0.00238906,-0
 .00060092,-0.00073240,0.00044189,0.00125695,-0.00055666,-0.00006989,-0
 .00003933,-0.00001542,0.00008664,0.00012020,-0.00029175,0.00223232,0.0
 0119508,0.00277119,-0.01105262,-0.01994740,-0.03336110,0.08397952,0.00
 247351,-0.00707173,0.00171524,0.00041667,0.00042285,0.00011157,-0.0122
 6579,-0.01864868,-0.03259482,-0.04179526,-0.13268503,-0.13883896,-0.00
 064694,-0.00125757,-0.00051459,0.00030626,-0.00009179,0.00045148,-0.00
 041088,0.00028955,-0.00029421,-0.00075752,0.00223111,0.00061109,0.0002
 5128,0.00016072,0.00007686,-0.00136627,-0.00073678,-0.00122610,0.00085
 265,0.00029508,0.00033566,0.00261632,0.00577495,0.00918367,0.05042813,
 0.15128038,-0.00012800,0.00181164,0.00039667,0.00029097,0.00007768,-0.
 00000889,0.00572784,0.01050927,0.00388883,-0.12623268,-0.16936238,-0.2
 9798211,-0.00067333,-0.00197783,0.00055750,0.00007986,0.00052070,-0.00
 039137,0.00148812,0.00085577,0.00054741,0.00041777,0.00037099,0.001910
 51,0.00008647,0.00023263,0.00042036,0.00010759,0.00037210,0.00067641,-
 0.00089781,-0.00165323,-0.00271695,0.00268782,-0.00272699,-0.00778026,
 0.11703767,0.16097743,0.30047149,-0.00441121,-0.00911084,0.02671242,-0
 .02152235,0.01035270,-0.01207677,0.00227007,-0.00083190,0.00126878,-0.
 00010405,0.00000726,-0.00058589,0.00005158,0.00038852,0.00040565,0.000
 09207,-0.00010511,-0.00015193,0.00023669,0.00002466,-0.00035731,-0.000
 00543,0.00002978,-0.00082597,-0.00688431,0.00181122,0.00015398,0.00170
 376,-0.00020127,-0.00051055,0.00000741,0.00008835,0.00011961,-0.000031
 28,0.00016248,0.00027523,-0.00009635,-0.00010215,0.00000771,0.02869341
 ,0.00068219,0.00346085,-0.00679756,0.00082510,-0.04240293,0.09445691,0
 .00025597,-0.00047602,0.00072973,0.00012590,-0.00044373,-0.00083109,-0
 .00044444,0.00052795,0.00000119,0.00010619,-0.00030509,-0.00000789,0.0
 0023103,-0.00003151,-0.00011506,-0.00026993,0.00022405,-0.00004109,0.0
 0214902,-0.00011555,-0.00029498,-0.00106151,0.00028111,-0.00094508,-0.
 00001145,-0.00009718,0.00004386,0.00030256,0.00016433,0.00124110,-0.00
 037692,0.00003695,-0.00000779,-0.00251371,0.03917675,0.00124300,0.0021
 1425,-0.00611568,0.01249358,0.08645713,-0.22433461,-0.00054692,-0.0003
 7959,0.00130170,-0.00019415,0.00002869,-0.00030722,-0.00004151,-0.0000
 6779,-0.00002683,-0.00000525,-0.00004017,0.00001504,-0.00013036,-0.000
 03447,0.00009850,0.00041445,0.00036332,0.00018151,0.00157598,-0.000959
 83,0.00129020,-0.00063001,-0.00026901,0.00009369,0.00000748,-0.0000164
 1,-0.00005104,0.00032929,0.00023044,0.00018023,-0.00008065,0.00000570,
 0.00001040,-0.01443493,-0.08743225,0.22766411\\-0.00004795,0.00000109,
 -0.00001800,0.00002385,-0.00000809,-0.00000151,0.00001469,0.00004243,0
 .00003455,-0.00000355,-0.00002277,0.00001449,-0.00000114,-0.00001927,-
 0.00001240,0.00000223,0.00001082,-0.00000062,0.00001176,-0.00000762,-0
 .00000538,-0.00000452,0.00000220,-0.00000253,0.00000161,-0.00000094,-0
 .00000281,0.00001009,0.00000208,0.00000358,-0.00000794,0.00000904,0.00
 000490,0.00000394,-0.00000196,-0.00000838,0.00000106,-0.00000580,-0.00
 000559,-0.00000413,-0.00000122,-0.00000030\\\@


 FRICTION IS A DRAG,
 AND ENTROPY AIN'T WHAT IT USED TO BE.
 Job cpu time:       0 days  1 hours 51 minutes 48.6 seconds.
 Elapsed time:       0 days  0 hours 14 minutes  6.8 seconds.
 File lengths (MBytes):  RWF=    198 Int=      0 D2E=      0 Chk=      6 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 11:21:45 2021.
